chempirical

2,3,5-Trifluorophenylacetic acid

C8H5F3O2CAS 132992-28-0190.12 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
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-Fluorophenyl)acetic acid451-82-151 % similar 3-Chloro-2-fluorobenzeneacetic acid261762-96-350 % similar 3-Fluorophenylacetic acid331-25-950 % similar (4-Fluorophenyl)acetic acid405-50-550 % 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 2,4,6-Trifluorobenzeneacetic acid209991-63-9 (2,4,5-Trifluorophenyl)acetic acid209995-38-0 2-(Trifluoromethyl)benzoic acid433-97-6 3-(Trifluoromethyl)benzoic acid454-92-2 4-(Trifluoromethyl)benzoic acid455-24-3

Elsewhere

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