chempirical

Perfluorobutanesulfonic acid

C4HF9O3SCAS 375-73-5300.09 g/mol

Open in Covalent MOL file
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Alkyl halideSulfonic acid

Properties

Molecular formula
C4HF9O3S
Molar mass
300.09 g/mol
Exact mass
299.9503 Da
Boiling point
211 °C
logP
2.30Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
375-73-5
SMILES
O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey
JGTNAGYHADQMCM-UHFFFAOYSA-N
InChI
InChI=1S/C4HF9O3S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H,14,15,16)

Weigh it out

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

Names and synonyms

10 names
  • 1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-
  • 1-Butanesulfonic acid, nonafluoro-
  • 1,1,2,2,3,3,4,4,4-Nonafluoro-1-butanesulfonic acid
  • Nonafluorobutanesulfonic acid
  • Nonafluoro-1-butanesulfonic acid
  • 1-Perfluorobutanesulfonic acid
  • Eftop FBSA
  • PFBS
  • n-Nonafluorobutanesulfonic acid
  • Nonafluorobutan-1-sulfonic acid

Work with Perfluorobutanesulfonic acid

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

Perfluorooctanesulfonic acid1763-23-196 % similar Perfluorohexanesulfonic acid355-46-496 % similar Perfluoroheptanesulfonic acid375-92-896 % similar Ammonium perfluorooctylsulfonate29081-56-985 % similar Perfluorobutanesulfonyl fluoride375-72-454 % similar Perfluorooctanesulfonyl fluoride307-35-752 % similar Nonafluorobutanesulfonic acid anhydride36913-91-452 % similar 1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluoro-1-hexanesulfonyl fluoride423-50-752 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia