3-(3,4,5-Trifluorophenyl)-2-propenoic acid

C₉H₅F₃O₂CAS 152152-19-7202.13 g/mol

Open in Covalent MOL file

Alkene Aryl halide Carboxylic acid

Properties

Molecular formula: C₉H₅F₃O₂
Molar mass: 202.13 g/mol
Exact mass: 202.0242 Da
logP: 2.20Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Identifiers

CAS number

152152-19-7

SMILES

O=C(O)C=Cc1cc(F)c(F)c(F)c1

InChIKey

PHIWFMZBVZFEQJ-UHFFFAOYSA-N

InChI

InChI=1S/C9H5F3O2/c10-6-3-5(1-2-8(13)14)4-7(11)9(6)12/h1-4H,(H,13,14)

Weigh it out

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

Names and synonyms

3 names

2-Propenoic acid, 3-(3,4,5-trifluorophenyl)-
3,4,5-Trifluorocinnamic acid
3-(3,4,5-Trifluorophenyl)acrylic acid

Work with 3-(3,4,5-Trifluorophenyl)-2-propenoic 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

trans-3,4-Difluorocinnamic acid112897-97-968 % similar (2E)-3-(3-Fluorophenyl)-2-propenoic acid20595-30-660 % similar 3-(3-Fluorophenyl)-2-propenoic acid458-46-860 % similar trans-4-Fluorocinnamic acid14290-86-959 % similar 3-(4-Fluorophenyl)-2-propenoic acid459-32-559 % similar trans-2,5-Difluorocinnamic acid112898-33-657 % similar 3-(3-Bromo-4-fluorophenyl)-2-propenoic acid160434-49-156 % similar 3-(2,3-Difluorophenyl)-2-propenoic acid207981-48-455 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-(2,3,4-Trifluorophenyl)-2-propenoic acid207742-85-6 3-(2,3,5-Trifluorophenyl)-2-propenoic acid237761-79-4

Elsewhere

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