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

C₉H₅F₃O₂CAS 237761-79-4202.13 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

237761-79-4

SMILES

O=C(O)C=Cc1cc(F)cc(F)c1F

InChIKey

FHDPERUKPYYNEO-UHFFFAOYSA-N

InChI

InChI=1S/C9H5F3O2/c10-6-3-5(1-2-8(13)14)9(12)7(11)4-6/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-(2,3,5-trifluorophenyl)-
2,3,5-Trifluorocinnamic acid
3-(2,3,5-Trifluorophenyl)acrylic acid

Work with 3-(2,3,5-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-2,5-Difluorocinnamic acid112898-33-668 % similar 3-(2,3-Difluorophenyl)-2-propenoic acid207981-48-462 % similar 3-(2-Bromo-5-fluorophenyl)-2-propenoic acid202865-70-156 % similar 3-(2-Fluorophenyl)-2-propenoic acid451-69-454 % similar trans-3,4-Difluorocinnamic acid112897-97-953 % similar 2-Chloro-4-fluorocinnamic acid133220-86-752 % similar 2,3,5-Ttrifluorobenzaldehyde126202-23-151 % similar 3-(4-Bromo-2-fluorophenyl)-2-propenoic acid149947-19-351 % similar

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

Same formula

3-(3,4,5-Trifluorophenyl)-2-propenoic acid152152-19-7 3-(2,3,4-Trifluorophenyl)-2-propenoic acid207742-85-6

Elsewhere

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