chempirical

3-(3-Fluorophenyl)propionic acid

C9H9FO2CAS 458-45-7168.17 g/mol

Open in Covalent MOL file
OHOF
Aryl halideCarboxylic acid

Properties

Molecular formula
C9H9FO2
Molar mass
168.17 g/mol
Exact mass
168.0587 Da
logP
1.84Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Identifiers

CAS number
458-45-7
SMILES
O=C(O)CCc1cccc(F)c1
InChIKey
UBLMRADOKLXLCD-UHFFFAOYSA-N
InChI
InChI=1S/C9H9FO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,4-5H2,(H,11,12)

Weigh it out

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

Names and synonyms

5 names
  • Benzenepropanoic acid, 3-fluoro-
  • Hydrocinnamic acid, m-fluoro-
  • 3-Fluorobenzenepropanoic acid
  • m-Fluorohydrocinnamic acid
  • 3-(3-Fluorophenyl)propanoic acid

Work with 3-(3-Fluorophenyl)propionic 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-Fluorophenylacetic acid331-25-970 % similar 3-(3-Aminophenyl)propionic acid1664-54-666 % similar 3-(3-Chlorophenyl)propanoic acid21640-48-266 % similar 3-(3′-Hydroxyphenyl)propionic acid621-54-566 % similar 3-(3-Bromophenyl)propionic acid42287-90-164 % similar 3-(3-Trifluoromethylphenyl)propanoic acid585-50-263 % similar 1,4-Benzenedipropanoic acid4251-21-260 % similar 3-(3-Methoxyphenyl)propionic acid10516-71-959 % similar

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

Same formula

Ethyl o-fluorobenzoate443-26-5 Ethyl 3-fluorobenzoate451-02-5 Ethyl 4-fluorobenzoate451-46-7 1-(3-Fluoro-4-methoxyphenyl)ethanone455-91-4 3-(4-Fluorophenyl)propionic acid459-31-4 1-(4-Fluoro-2-methoxyphenyl)ethanone51788-80-8 2-Fluoro-4-methylbenzeneacetic acid518070-28-5 1-(4-Fluoro-3-methoxyphenyl)ethanone64287-19-0

Elsewhere

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