α-Fluorobenzeneacetic acid

C₈H₇FO₂CAS 1578-63-8154.14 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₈H₇FO₂
Molar mass: 154.14 g/mol
Exact mass: 154.0430 Da
Melting point: 83–85 °C
logP: 1.78Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Identifiers

CAS number

1578-63-8

SMILES

O=C(O)C(F)c1ccccc1

InChIKey

ATPPNMLQNZHDOG-UHFFFAOYSA-N

InChI

InChI=1S/C8H7FO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)

Weigh it out

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

Names and synonyms

6 names

α-Fluorophenylacetic acid
2-Fluoro-2-phenylacetic acid
(±)-2-Fluoro-2-phenylacetic acid
(±)-α-Fluorophenylacetic acid
Benzeneacetic acid, α-fluoro-
Acetic acid, fluorophenyl-

Work with α-Fluorobenzeneacetic 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

Phenylmalonic acid2613-89-061 % similar (+)-2-Phenylpropionic acid7782-24-360 % similar (-)-2-Phenylpropionic acid7782-26-560 % similar (S)-Mandelic acid17199-29-057 % similar (-)-Mandelic acid611-71-257 % similar Mandelic acid90-64-257 % similar L-Phenylglycine2935-35-555 % similar Bromophenylacetic acid4870-65-955 % 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 1-(4-Fluoro-2-hydroxyphenyl)ethanone1481-27-2 5-Fluoro-2-methoxybenzaldehyde19415-51-1 3-Fluorophenylacetic acid331-25-9 2-Fluoro-4-methoxybenzaldehyde331-64-6 5-Fluoro-2-methylbenzoic acid33184-16-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook