chempirical

2-(2,3,4-Trifluorophenyl)acetic acid

C8H5F3O2CAS 243666-12-8190.12 g/mol

Open in Covalent MOL file
OHOFFF
Aryl halideCarboxylic 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
243666-12-8
SMILES
C1=CC(=C(C(=C1CC(=O)O)F)F)F
InChIKey
OSQPRQRJSJMQRJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H5F3O2/c9-5-2-1-4(3-6(12)13)7(10)8(5)11/h1-2H,3H2,(H,12,13)

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Names and synonyms

1 names
  • 2,3,4-Trifluorophenylacetic acid

Work with 2-(2,3,4-Trifluorophenyl)acetic 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

2,3-Difluorobenzeneacetic acid145689-41-473 % similar (2-Fluorophenyl)acetic acid451-82-159 % similar 2,4-Difluorophenylacetic acid81228-09-358 % similar 2,5-Difluorobenzeneacetic acid85068-27-558 % similar 3-Chloro-2-fluorobenzeneacetic acid261762-96-357 % similar 2-(4-Bromo-2-fluorophenyl)acetic acid114897-92-655 % similar 4-Chloro-2-fluorophenylacetic acid194240-75-055 % similar 2-(2-Fluoro-5-methylphenyl)acetic acid203314-27-655 % 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 2,3,5-Trifluorophenylacetic acid132992-28-0 3,4,5-Trifluorophenylacetic acid209991-62-8 2,4,6-Trifluorobenzeneacetic acid209991-63-9 (2,4,5-Trifluorophenyl)acetic acid209995-38-0 4-Hydroxy-3-(trifluoromethyl)benzaldehyde220227-98-5

Elsewhere

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