3-Fluorophenylacetic acid

C8H7FO2CAS 331-25-9154.14 g/mol

Open in Covalent MOL file
OHOF
Aryl halideCarboxylic acid

Properties

Molecular formula
C8H7FO2
Molar mass
154.14 g/mol
Exact mass
154.0430 Da
Melting point
43 °C
logP
1.45Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
331-25-9
SMILES
O=C(O)Cc1cccc(F)c1
InChIKey
YEAUYVGUXSZCFI-UHFFFAOYSA-N
InChI
InChI=1S/C8H7FO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11)

Weigh it out

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

Names and synonyms

7 names
  • Benzeneacetic acid, 3-fluoro-
  • Acetic acid, (m-fluorophenyl)-
  • 3-Fluorobenzeneacetic acid
  • (m-Fluorophenyl)acetic acid
  • m-Fluorophenylacetic acid
  • NSC 88344
  • 2-(3-Fluorophenyl)acetic acid

Work with 3-Fluorophenylacetic 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

1,3-Benzenediacetic acid19806-17-875 % similar 3,5-Difluorophenylacetic acid105184-38-170 % similar 3-(3-Fluorophenyl)propionic acid458-45-770 % similar (4-Fluorophenyl)acetic acid405-50-565 % similar (3-Chlorophenyl)acetic acid1878-65-564 % similar 3'-Hydroxyphenylacetic acid621-37-464 % similar 2-(3-Chloro-5-fluorophenyl)acetic acid202001-00-163 % similar (3-Aminophenyl)acetic acid14338-36-462 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluoro-3-methoxybenzaldehyde103438-88-6 2-Fluoro-5-methoxybenzaldehyde105728-90-3 4-Fluoro-3-methoxybenzaldehyde128495-46-5 2-Fluoro-6-methoxybenzaldehyde146137-74-8 4'-Fluoro-2'-hydroxyacetophenone1481-27-2 Fluorophenylacetic acid1578-63-8 5-Fluoro-2-methoxybenzaldehyde19415-51-1 2-Fluoro-3-methylbenzoic acid315-31-1

Elsewhere

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