chempirical

Perfluorobutanoic acid

C4HF7O2CAS 375-22-4214.04 g/mol

Open in Covalent MOL file
OHOFFFFFFF
Alkyl halideCarboxylic acid

Properties

Molecular formula
C4HF7O2
Molar mass
214.04 g/mol
Exact mass
213.9865 Da
Density
1.651 g/mL (at 20 °C)
Melting point
−17.5 °C
Boiling point
121 °C
logP
1.90Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
375-22-4
SMILES
O=C(O)C(F)(F)C(F)(F)C(F)(F)F
InChIKey
YPJUNDFVDDCYIH-UHFFFAOYSA-N
InChI
InChI=1S/C4HF7O2/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H,12,13)

Weigh it out

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

Names and synonyms

13 names · show all
  • Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-
  • Butyric acid, heptafluoro-
  • Butanoic acid, heptafluoro-
  • 2,2,3,3,4,4,4-Heptafluorobutanoic acid
  • Perfluorobutyric acid
  • Heptafluorobutyric acid
  • Perfluoropropanecarboxylic acid
  • Heptafluorobutanoic acid
  • HFBA
  • NSC 820
  • Fluorad FC 23
  • FC 23
  • H 0024

Work with Perfluorobutanoic 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

Perfluoropentanoic acid2706-90-387 % similar Perfluorooctadecanoic acid16517-11-683 % similar Perfluorohexanoic acid307-24-483 % similar Perfluorododecanoic acid307-55-183 % similar Perfluorooctanoic acid335-67-183 % similar Perfluorodecanoic acid335-76-283 % similar Perfluoroheptanoic acid375-85-983 % similar Perfluorononanoic acid375-95-183 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia