Structure & Deep Data of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride (C6F12O2)
Identification of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride Chemical Compound
Chemical Formula | C6F12O2 |
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Molecular Weight | 332.04384 g/mol |
IUPAC Name | 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride |
SMILES String | FC(=O)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)F |
InChI | InChI=1S/C6F12O2/c7-1(19)2(8,9)3(10,11)5(15,16)20-6(17,18)4(12,13)14 |
InChIKey | PERBJFGBTZXMMX-UHFFFAOYSA-N |
Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride molecule contains a total of 19 bond(s). There are 19 non-H bond(s), 1 multiple bond(s), 5 rotatable bond(s), 1 double bond(s), 1 acyl halogenide(s) (aliphatic), and 1 ether(s) (aliphatic). Images of the chemical structure of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride are given below:
The 2D chemical structure image of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.
The 3D chemical structure image of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride. Download structure data file (SDF/MOL) file of this compound.
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Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride is provided here.
The 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
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Additional Information for Identifying 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride
The SMILES string of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride is FC(=O)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)F, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride.
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Structure Data File (SDF/MOL File) of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride
The structure data file (SDF/MOL File) of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride is available for download in the SDF page of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride, which provides the information about the atoms, bonds, connectivity and coordinates of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride. The 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride
The molecular formula of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride is available in chemical formula page of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride
The molecular weight of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride is available in molecular weight page of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.
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Other names (synonyms) or registry numbers of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride
The 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride including the various registry numbers, if available:
None available.
2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride? |
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C6F12O2 |
How many atoms and what are the elements included the 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride molecule? |
20 atom(s) - 6 Carbon atom(s), 2 Oxygen atom(s), and 12 Fluorine atom(s) |
How many chemical bonds and what kind of bonds are included the 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride structure? |
19 bond(s) - 19 non-H bond(s), 1 multiple bond(s), 5 rotatable bond(s), 1 double bond(s), 1 acyl halogenide(s) (aliphatic), and 1 ether(s) (aliphatic) |
What’s the 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride’s molecular weight? |
332.04384 g/mol |
What’s the SMILES code of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride? |
FC(=O)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)F |
What’s the InChI string of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride? |
InChI=1S/C6F12O2/c7-1(19)2(8,9)3(10,11)5(15,16)20-6(17,18)4(12,13)14 |
What’s the InChIKey code of 2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoyl fluoride? |
PERBJFGBTZXMMX-UHFFFAOYSA-N |
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
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commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).