chempirical

4-(4-Fluorophenyl)butanoic acid

C10H11FO2CAS 589-06-0182.19 g/mol

Open in Covalent MOL file
OHOF
Aryl halideCarboxylic acid

Properties

Molecular formula
C10H11FO2
Molar mass
182.19 g/mol
Exact mass
182.0743 Da
Melting point
30 °C
Boiling point
161–164 °C (at 4 Torr)
logP
2.23Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
4

Identifiers

CAS number
589-06-0
SMILES
O=C(O)CCCc1ccc(F)cc1
InChIKey
XVQYBBYOYJXQBF-UHFFFAOYSA-N
InChI
InChI=1S/C10H11FO2/c11-9-6-4-8(5-7-9)2-1-3-10(12)13/h4-7H,1-3H2,(H,12,13)

Weigh it out

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

Names and synonyms

6 names
  • Benzenebutanoic acid, 4-fluoro-
  • Butyric acid, 4-(p-fluorophenyl)-
  • 4-Fluorobenzenebutanoic acid
  • 4-(p-Fluorophenyl)butyric acid
  • 4-(4-Fluorophenyl)butyric acid
  • NSC 409583

Work with 4-(4-Fluorophenyl)butanoic 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

4-Fluorobenzenepentanoic acid24484-22-890 % similar 4-Hydroxybenzenebutanoic acid7021-11-666 % similar (4-Fluorophenyl)acetic acid405-50-565 % similar 4-Methylbenzenebutanoic acid4521-22-664 % similar 4-Fluoro-δ-oxobenzenepentanoic acid149437-76-363 % similar Benzenepentanoic acid2270-20-459 % similar 1,4-Benzenedipropanoic acid4251-21-259 % similar 4-Methoxybenzenebutanoic acid4521-28-258 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook