Back to Search
Molecule
Perfluorooctanesulfonyl Fluoride
CAS: 307-35-7 · C8F18O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 307-35-7
- Molecular Formula
- C8F18O2S
- Molecular Mass
- 502.12 g/mol
Identifiers
CAS Registry Number
307-35-7
SMILES
O=S(=O)(F)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
InChI Key
BHFJBHMTEDLICO-UHFFFAOYSA-N
InChI
InChI=1S/C8F18O2S/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
Names and Synonyms
- Perfluorooctanesulfonyl Fluoride Synonym
- 1-Octanesulfonyl fluoride, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro- Synonym
- 1-Octanesulfonyl fluoride, heptadecafluoro- Synonym
- 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonyl fluoride Synonym
- Perfluorooctylsulfonyl fluoride Synonym
- n-Perfluorooctanesulfonyl fluoride Synonym
- Perfluorooctanesulfonyl fluoride Synonym
- Perfluoro-1-octanesulfonyl fluoride Synonym
- FX 8 Synonym
- Fluorad FX 8 Synonym
- 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-octanesulfonyl fluoride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 502.12 g/mol | CAS Common Chemistry |
| 502.11699999999996 g/mol | RDKit | |
| 502.117 g/mol | RDKit | |
| 502.11 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Perfluorooctanesulfonyl_fluoride | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(F)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/C8F18O2S/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 | CAS Common Chemistry |
| InChI Key | InChIKey=BHFJBHMTEDLICO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Perfluorooctanesulfonyl fluoride | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 34.14 Ų | RDKit |
| LogP | 5.252600000000001 | RDKit |
| 5.2526 | RDKit | |
| Molar Refractivity | 50.71179999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 501.9331582 g/mol | RDKit |
| Boiling Point | 154.5 °C @ 744 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Convert
Quick conversion
MW = 502.12 g/mol. Edit any field — others recompute live.
