Back to Search
Molecule
Trifluoromethanesulfonyl Fluoride
CAS: 335-05-7 · CF4O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 335-05-7
- Molecular Formula
- CF4O2S
- Molecular Mass
- 152.07 g/mol
Identifiers
CAS Registry Number
335-05-7
SMILES
O=S(=O)(F)C(F)(F)F
InChI Key
SLVAEVYIJHDKRO-UHFFFAOYSA-N
InChI
InChI=1S/CF4O2S/c2-1(3,4)8(5,6)7
Names and Synonyms
- Trifluoromethanesulfonyl Fluoride Synonym
- Methanesulfonyl fluoride, trifluoro- Synonym
- Trifluoromethanesulfonyl fluoride Synonym
- Trifluoromethylsulfonyl fluoride Synonym
- Perfluoromethanesulfonyl fluoride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 152.07 g/mol | CAS Common Chemistry |
| 152.06799999999998 g/mol | RDKit | |
| 152.068 g/mol | RDKit | |
| 152.061 g/mol | chempirical lib | |
| Boiling Point | -21.7 °C | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(F)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/CF4O2S/c2-1(3,4)8(5,6)7 | CAS Common Chemistry |
| InChI Key | InChIKey=SLVAEVYIJHDKRO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Trifluoromethanesulfonyl fluoride | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 34.14 Ų | RDKit |
| LogP | 0.8055000000000001 | RDKit |
| 0.8055 | RDKit | |
| Molar Refractivity | 16.082800000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 151.95551312 g/mol | RDKit |
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 = 152.07 g/mol. Edit any field — others recompute live.
