Structure & Deep Data of Perfluorohexanesulfonamide (C6H2F13NO2S)
Identification of Perfluorohexanesulfonamide Chemical Compound
| Chemical Formula | C6H2F13NO2S |
|---|---|
| Molecular Weight | 399.12982 g/mol |
| IUPAC Name | 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide |
| SMILES String | NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
| InChI | InChI=1S/C6H2F13NO2S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22/h(H2,20,21,22) |
| InChIKey | WDZLGCSJJWEQJO-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 Perfluorohexanesulfonamide molecule contains a total of 24 bond(s). There are 22 non-H bond(s), 2 multiple bond(s), 5 rotatable bond(s), 2 double bond(s), and 1 sulfonamide(s) (thio-/dithio-). Images of the chemical structure of Perfluorohexanesulfonamide are given below:
The 2D chemical structure image of Perfluorohexanesulfonamide is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Perfluorohexanesulfonamide 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 Perfluorohexanesulfonamide 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 Perfluorohexanesulfonamide. Download structure data file (SDF/MOL) file of this compound.
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of Perfluorohexanesulfonamide is provided here.
The Perfluorohexanesulfonamide 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 Perfluorohexanesulfonamide 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 Perfluorohexanesulfonamide 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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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Perfluorohexanesulfonamide Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of Perfluorohexanesulfonamide
The SMILES string of Perfluorohexanesulfonamide is NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(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 Perfluorohexanesulfonamide.
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Structure Data File (SDF/MOL File) of Perfluorohexanesulfonamide
The structure data file (SDF/MOL File) of Perfluorohexanesulfonamide is available for download in the SDF page of Perfluorohexanesulfonamide, which provides the information about the atoms, bonds, connectivity and coordinates of Perfluorohexanesulfonamide. The Perfluorohexanesulfonamide structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of Perfluorohexanesulfonamide
The molecular formula of Perfluorohexanesulfonamide is available in chemical formula page of Perfluorohexanesulfonamide, 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 Perfluorohexanesulfonamide
The molecular weight of Perfluorohexanesulfonamide is available in molecular weight page of Perfluorohexanesulfonamide, 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 Perfluorohexanesulfonamide
The Perfluorohexanesulfonamide compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Perfluorohexanesulfonamide including the various registry numbers, if available:
- TRIDECAFLUOROHEXANE-1-SULFONAMIDE
- MFCD09263736
- 41997-13-1
- Perfluorohexanesulfonamide
Perfluorohexanesulfonamide Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of Perfluorohexanesulfonamide? |
|---|
| C6H2F13NO2S |
| How many atoms and what are the elements included the Perfluorohexanesulfonamide molecule? |
| 25 atom(s) - 2 Hydrogen atom(s), 6 Carbon atom(s), 1 Nitrogen atom(s), 2 Oxygen atom(s), 1 Sulfur atom(s), and 13 Fluorine atom(s) |
| How many chemical bonds and what kind of bonds are included the Perfluorohexanesulfonamide structure? |
| 24 bond(s) - 22 non-H bond(s), 2 multiple bond(s), 5 rotatable bond(s), 2 double bond(s), and 1 sulfonamide(s) (thio-/dithio-) |
| What’s the Perfluorohexanesulfonamide’s molecular weight? |
| 399.12982 g/mol |
| What’s the SMILES code of Perfluorohexanesulfonamide? |
| NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
| What’s the InChI string of Perfluorohexanesulfonamide? |
| InChI=1S/C6H2F13NO2S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22/h(H2,20,21,22) |
| What’s the InChIKey code of Perfluorohexanesulfonamide? |
| WDZLGCSJJWEQJO-UHFFFAOYSA-N |
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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).