chempirical

3,4,5-Trifluorophenylacetic acid

C8H5F3O2CAS 209991-62-8190.12 g/mol

Open in Covalent MOL file
FFFOOH
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
209991-62-8
SMILES
C1=C(C=C(C(=C1F)F)F)CC(=O)O
InChIKey
PQGPUBAARWWOOP-UHFFFAOYSA-N
InChI
InChI=1S/C8H5F3O2/c9-5-1-4(3-7(12)13)2-6(10)8(5)11/h1-2H,3H2,(H,12,13)

Weigh it out

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

Work with 3,4,5-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

(3,4-Difluorophenyl)acetic acid658-93-565 % similar 3,5-Difluorophenylacetic acid105184-38-163 % similar 3-Fluoro-4-hydroxybenzeneacetic acid458-09-359 % similar 3,5-Dihydroxyphenylacetic acid4670-09-155 % similar 2,3-Difluorobenzeneacetic acid145689-41-454 % similar 3-Fluoro-4-(trifluoromethyl)phenylacetic acid238754-67-154 % similar 1,4-Benzenediacetic acid7325-46-454 % similar 2,3,4,5,6-Pentafluorobenzeneacetic acid653-21-453 % 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 2,4,6-Trifluorobenzeneacetic acid209991-63-9 (2,4,5-Trifluorophenyl)acetic acid209995-38-0 4-Hydroxy-3-(trifluoromethyl)benzaldehyde220227-98-5 2-(2,3,4-Trifluorophenyl)acetic acid243666-12-8

Elsewhere

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