Fluorophenylacetic 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

Hazards

Danger

H301 Toxic if swallowed97.9% of notifiers
H311 Toxic in contact with skin97.9% of notifiers
H315 Causes skin irritation12.8% of notifiers
H319 Causes serious eye irritation12.8% of notifiers
H331 Toxic if inhaled89.4% of notifiers
H335 May cause respiratory irritation12.8% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

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

7 names

α-Fluorobenzeneacetic acid
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 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

Diphenylacetic acid117-34-061 % similar Phenylmalonic acid2613-89-061 % similar 2-Phenylpropionic acid492-37-560 % similar (+)-2-Phenylpropionic acid7782-24-360 % similar (-)-2-Phenylpropionic acid7782-26-560 % similar (S)-Mandelic acid17199-29-057 % similar Chloro(phenyl)acetic acid4755-72-057 % similar (-)-Mandelic acid611-71-257 % 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 5-Fluoro-2-methoxybenzaldehyde19415-51-1 2-Fluoro-3-methylbenzoic acid315-31-1 2-Fluoro-5-methylbenzoic acid321-12-0

Elsewhere

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