chempirical

Trifluoromethanesulfonyl fluoride

CF4O2SCAS 335-05-7152.06 g/mol

Open in Covalent MOL file
OSOFFFF
Alkyl halide

Properties

Molecular formula
CF4O2S
Molar mass
152.06 g/mol
Exact mass
151.9555 Da
Boiling point
−21.7 °C
logP
0.81Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
335-05-7
SMILES
O=S(=O)(F)C(F)(F)F
InChIKey
SLVAEVYIJHDKRO-UHFFFAOYSA-N
InChI
InChI=1S/CF4O2S/c2-1(3,4)8(5,6)7

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • Methanesulfonyl fluoride, trifluoro-
  • Trifluoromethylsulfonyl fluoride
  • Perfluoromethanesulfonyl fluoride

Work with Trifluoromethanesulfonyl fluoride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Perfluorobutanesulfonyl fluoride375-72-440 % similar 2,2-Difluoro-2-(fluorosulfonyl)acetic acid1717-59-538 % similar Perfluorooctanesulfonyl fluoride307-35-738 % similar 1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluoro-1-hexanesulfonyl fluoride423-50-738 % similar Triflic acid1493-13-638 % similar Trifluoromethanesulfonic anhydride358-23-638 % similar Trifluoromethanesulfonyl chloride421-83-038 % similar 1,1,1-Trifluoromethanesulfonamide421-85-238 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook