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Molecule
Perfluorobutanesulfonyl Fluoride
CAS: 375-72-4 · C4F10O2S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 375-72-4
- Molecular Formula
- C4F10O2S
- Molecular Mass
- 302.09 g/mol
Identifiers
CAS Registry Number
375-72-4
SMILES
O=S(=O)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI Key
LUYQYZLEHLTPBH-UHFFFAOYSA-N
InChI
InChI=1S/C4F10O2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16
Names and Synonyms
- Perfluorobutanesulfonyl Fluoride Common Name
- 1-Butanesulfonyl fluoride, 1,1,2,2,3,3,4,4,4-nonafluoro- Synonym
- 1-Butanesulfonyl fluoride, nonafluoro- Synonym
- 1,1,2,2,3,3,4,4,4-Nonafluoro-1-butanesulfonyl fluoride Synonym
- Perfluorobutylsulfonyl fluoride Synonym
- Nonafluorobutanesulfonyl fluoride Synonym
- Perfluorobutanesulfonyl fluoride Synonym
- Nonaflyl fluoride Synonym
- Perfluoro-1-butanesulfonyl fluoride Synonym
- n-Nonafluorobutanesulfonyl fluoride Synonym
- 1,1,2,2,3,3,4,4,4-Nonafluorobutan-1-sulfonyl fluoride Synonym
- Nonafluoro-1-butanesulfonyl fluoride Synonym
- Perfluorobutan-1-sulfonyl fluoride Synonym
- 1,1,2,2,3,3,4,4,4-Nonafluorobutanesulfonyl fluoride Synonym
- Nonafluorobutanesulfonic acid fluoride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 302.09 g/mol | CAS Common Chemistry |
| 302.08899999999994 g/mol | RDKit | |
| 302.089 g/mol | RDKit | |
| 302.082 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Perfluorobutanesulfonyl_fluoride | CAS Common Chemistry |
| Boiling Point | 64 °C | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C4F10O2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16 | CAS Common Chemistry |
| InChI Key | InChIKey=LUYQYZLEHLTPBH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <-120 °C | CAS Common Chemistry |
| Name | 1,1,2,2,3,3,4,4,4-Nonafluoro-1-butanesulfonyl fluoride | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 34.14 Ų | RDKit |
| LogP | 2.7114 | RDKit |
| Molar Refractivity | 30.92380000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 301.94593244 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.
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MW = 302.09 g/mol. Edit any field — others recompute live.
