2,3,5-Trifluorophenylacetic acid

C₈H₅F₃O₂CAS 132992-28-0190.12 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₈H₅F₃O₂
Molar mass: 190.12 g/mol
Exact mass: 190.0242 Da
logP: 1.73Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed20% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled20% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

132992-28-0

SMILES

C1=C(C=C(C(=C1CC(=O)O)F)F)F

InChIKey

HHVKNKDKNBABCU-UHFFFAOYSA-N

InChI

InChI=1S/C8H5F3O2/c9-5-1-4(2-7(12)13)8(11)6(10)3-5/h1,3H,2H2,(H,12,13)

Weigh it out

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

Work with 2,3,5-Trifluorophenylacetic 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

2,4-Difluorophenylacetic acid81228-09-364 % similar 2,5-Difluorobenzeneacetic acid85068-27-564 % similar 2,3-Difluorobenzeneacetic acid145689-41-459 % similar 3,5-Difluorophenylacetic acid105184-38-159 % similar 2,3,5-Trifluorobenzyl alcohol67640-33-954 % similar 2-(2-Bromo-5-fluorophenyl)acetic acid739336-26-653 % similar 2,3,5-Trifluorobenzyl bromide226717-83-551 % similar (2-Fluorophenyl)acetic acid451-82-151 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4,5-Trifluoro-3-methylbenzoic acid112822-85-2 2,3,6-Trifluorophenylacetic acid114152-23-7 2-Methyl-3,4,6-trifluoro benzoic acid119916-22-2 3,4,5-Trifluorophenylacetic acid209991-62-8 2,4,6-Trifluorobenzeneacetic acid209991-63-9 2,4,5-Trifluorophenylacetic acid209995-38-0 4-Hydroxy-3-(trifluoromethyl)benzaldehyde220227-98-5 2-(2,3,4-Trifluorophenyl)acetic acid243666-12-8

Elsewhere

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