Structure & Deep Data of Hexafluoro-2,2,3,3-tetrachlorobutane (C4Cl4F6)
Identification of Hexafluoro-2,2,3,3-tetrachlorobutane Chemical Compound
Chemical Formula | C4Cl4F6 |
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Molecular Weight | 303.84402 g/mol |
IUPAC Name | 2,2,3,3-tetrachloro-1,1,1,4,4,4-hexafluorobutane |
SMILES String | FC(F)(F)C(Cl)(Cl)C(Cl)(Cl)C(F)(F)F |
InChI | InChI=1S/C4Cl4F6/c5-1(6,3(9,10)11)2(7,8)4(12,13)14 |
InChIKey | BZBLUUDREZEDDJ-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 Hexafluoro-2,2,3,3-tetrachlorobutane molecule contains a total of 13 bond(s). There are 13 non-H bond(s) and 1 rotatable bond(s). Images of the chemical structure of Hexafluoro-2,2,3,3-tetrachlorobutane are given below:
The 2D chemical structure image of Hexafluoro-2,2,3,3-tetrachlorobutane is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Hexafluoro-2,2,3,3-tetrachlorobutane 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 Hexafluoro-2,2,3,3-tetrachlorobutane 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 Hexafluoro-2,2,3,3-tetrachlorobutane. Download structure data file (SDF/MOL) file of this compound.
chemical table area
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of Hexafluoro-2,2,3,3-tetrachlorobutane is provided here.
The Hexafluoro-2,2,3,3-tetrachlorobutane 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 Hexafluoro-2,2,3,3-tetrachlorobutane 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 Hexafluoro-2,2,3,3-tetrachlorobutane 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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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Hexafluoro-2,2,3,3-tetrachlorobutane Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of Hexafluoro-2,2,3,3-tetrachlorobutane
The SMILES string of Hexafluoro-2,2,3,3-tetrachlorobutane is FC(F)(F)C(Cl)(Cl)C(Cl)(Cl)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 Hexafluoro-2,2,3,3-tetrachlorobutane.
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Structure Data File (SDF/MOL File) of Hexafluoro-2,2,3,3-tetrachlorobutane
The structure data file (SDF/MOL File) of Hexafluoro-2,2,3,3-tetrachlorobutane is available for download in the SDF page of Hexafluoro-2,2,3,3-tetrachlorobutane, which provides the information about the atoms, bonds, connectivity and coordinates of Hexafluoro-2,2,3,3-tetrachlorobutane. The Hexafluoro-2,2,3,3-tetrachlorobutane structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of Hexafluoro-2,2,3,3-tetrachlorobutane
The molecular formula of Hexafluoro-2,2,3,3-tetrachlorobutane is available in chemical formula page of Hexafluoro-2,2,3,3-tetrachlorobutane, 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 Hexafluoro-2,2,3,3-tetrachlorobutane
The molecular weight of Hexafluoro-2,2,3,3-tetrachlorobutane is available in molecular weight page of Hexafluoro-2,2,3,3-tetrachlorobutane, 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 Hexafluoro-2,2,3,3-tetrachlorobutane
The Hexafluoro-2,2,3,3-tetrachlorobutane compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Hexafluoro-2,2,3,3-tetrachlorobutane including the various registry numbers, if available:
- AR-1D0511
- 2,2,3,3-Tetrachloro-1,1,1,4,4,4-hexafluorobutane #
- I14-29326
- Butane,2,3,3-tetrachloro-1,1,1,4,4,4-hexafluoro-
- 1,1,1,4,4,4-HEXAFLUORO-TETRACHLOROBUTANE
- C-47479
- 2,2,3,3-TETRACHLOROHEXAFLUORO-N-BUTANE
- C-4963
- 1,1,1,4,4,4-Hexafluoro tetrachloro butane
- MFCD00042088
- Butane,2,3,3-tetrachlorohexafluoro-
- 1908AE
- ZX-AP002182
- Butane,2,2,3,3-tetrachloro-1,1,1,4,4,4-hexafluoro-
- Butane, 2,2,3,3-tetrachloro-1,1,1,4,4,4-hexafluoro-
- CFC 316
- FC 316maa
- Butane S2-46
- 2,2,3,3-Tetrachlorohexafluorobutane
- Butane, 2,2,3,3-tetrachlorohexafluoro-
- Hexafluoro-2,2,3,3-tetrachlorobutane
- 375-34-8
Hexafluoro-2,2,3,3-tetrachlorobutane Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of Hexafluoro-2,2,3,3-tetrachlorobutane? |
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C4Cl4F6 |
How many atoms and what are the elements included the Hexafluoro-2,2,3,3-tetrachlorobutane molecule? |
14 atom(s) - 4 Carbon atom(s), 6 Fluorine atom(s), and 4 Chlorine atom(s) |
How many chemical bonds and what kind of bonds are included the Hexafluoro-2,2,3,3-tetrachlorobutane structure? |
13 bond(s) - 13 non-H bond(s) and 1 rotatable bond(s) |
What’s the Hexafluoro-2,2,3,3-tetrachlorobutane’s molecular weight? |
303.84402 g/mol |
What’s the SMILES code of Hexafluoro-2,2,3,3-tetrachlorobutane? |
FC(F)(F)C(Cl)(Cl)C(Cl)(Cl)C(F)(F)F |
What’s the InChI string of Hexafluoro-2,2,3,3-tetrachlorobutane? |
InChI=1S/C4Cl4F6/c5-1(6,3(9,10)11)2(7,8)4(12,13)14 |
What’s the InChIKey code of Hexafluoro-2,2,3,3-tetrachlorobutane? |
BZBLUUDREZEDDJ-UHFFFAOYSA-N |
298
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).