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Molecule
Potassium Perfluorooctanesulfonate
CAS: 2795-39-3 · C8HF17KO3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2795-39-3
- Molecular Formula
- C8HF17KO3S
- Molecular Mass
- 539.22 g/mol
Identifiers
CAS Registry Number
2795-39-3
SMILES
O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[K]
InChI Key
QGTQTQBVAMFOGO-UHFFFAOYSA-N
InChI
InChI=1S/C8HF17O3S.K/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28;/h(H,26,27,28);
Names and Synonyms
- Potassium Perfluorooctanesulfonate Common Name
- 1-Octanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, potassium salt (1:1) Synonym
- 1-Octanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, potassium salt Synonym
- 1-Octanesulfonic acid, heptadecafluoro-, potassium salt Synonym
- Potassium perfluorooctanesulfonate Synonym
- Heptadecafluorooctanesulfonic acid potassium salt Synonym
- Potassium heptadecafluorooctane-1-sulfonate Synonym
- FC 95 Synonym
- Fluorad FC 95 Synonym
- Potassium perfluorooctylsulfonate Synonym
- Megafac F 110 Synonym
- Perfluorooctanesulfonic acid potassium salt Synonym
- Megafac F 116 Synonym
- F 110 Synonym
- Fluortensid FT 800 Synonym
- Eftop EF 102 Synonym
- F 116 Synonym
- Fluorad 95 Synonym
- EF 102 Synonym
- Potassium heptadecafluorooctanesulfonate Synonym
- LE 003 Synonym
- Potassium heptadecafluorooctan-1-sulfonate Synonym
- FC 80 Synonym
- FC 95 surfactant Synonym
- YF 95 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 539.22 g/mol | CAS Common Chemistry |
| 539.2239999999999 g/mol | RDKit | |
| 539.224 g/mol | RDKit | |
| 540.225 g/mol | chempirical lib | |
| Canonical SMILES | [K].O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C8HF17O3S.K/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28;/h(H,26,27,28); | CAS Common Chemistry |
| InChI Key | InChIKey=QGTQTQBVAMFOGO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 277-280 °C | CAS Common Chemistry |
| Name | Potassium perfluorooctanesulfonate | CAS Common Chemistry |
| Heavy Atom Count | 30 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 54.370000000000005 Ų | RDKit |
| 54.37 Ų | RDKit | |
| LogP | 4.460300000000001 | RDKit |
| 4.4603 | RDKit | |
| Molar Refractivity | 57.98659999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 538.901201312 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 539.22 g/mol. Edit any field — others recompute live.
