chempirical

4-Fluorobutanoic acid

C4H7FO2CAS 462-23-7106.10 g/mol

Open in Covalent MOL file
OHOF
Alkyl halideCarboxylic acid

Properties

Molecular formula
C4H7FO2
Molar mass
106.10 g/mol
Exact mass
106.0430 Da
Boiling point
60–62 °C (at 2 Torr)
logP
0.82Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Identifiers

CAS number
462-23-7
SMILES
O=C(O)CCCF
InChIKey
BDXSWIQVLYXSSU-UHFFFAOYSA-N
InChI
InChI=1S/C4H7FO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7)

Weigh it out

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

Names and synonyms

3 names
  • Butanoic acid, 4-fluoro-
  • Butyric acid, 4-fluoro-
  • 4-Fluorobutyric acid

Work with 4-Fluorobutanoic 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Fluoropropanoic acid461-56-380 % similar Glutaric acid110-94-165 % similar Pimelic acid111-16-062 % similar Pentadecanedioic acid1460-18-062 % similar Heptadecanedioic acid2424-90-062 % similar Eicosanedioic acid2424-92-262 % similar Suberic acid505-48-662 % similar Brassylic acid505-52-262 % similar

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

Same formula

Ethyl fluoroacetate459-72-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook