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

C₉H₅F₃O₂CAS 207742-85-6202.13 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

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

207742-85-6

SMILES

O=C(O)C=Cc1ccc(F)c(F)c1F

InChIKey

AYDLBRHSHLRVAH-UHFFFAOYSA-N

InChI

InChI=1S/C9H5F3O2/c10-6-3-1-5(2-4-7(13)14)8(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

1 names

2-Propenoic acid, 3-(2,3,4-trifluorophenyl)-

Work with 3-(2,3,4-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

3-(2,3-Difluorophenyl)-2-propenoic acid207981-48-474 % similar trans-2,5-Difluorocinnamic acid112898-33-662 % similar 2,4-Difluorocinnamic acid774-73-262 % similar 2,4-Difluorocinnamic acid94977-52-362 % similar 3-(2-Fluorophenyl)-2-propenoic acid451-69-461 % similar 3-(4-Bromo-2-fluorophenyl)-2-propenoic acid149947-19-357 % similar 3-(5-Bromo-2-fluorophenyl)-2-propenoic acid202865-71-257 % similar 3-(4-Chloro-2-fluorophenyl)-2-propenoic acid202982-65-857 % 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-(2,3,5-Trifluorophenyl)-2-propenoic acid237761-79-4 2,4,5-Trifluorocinnamic acid247170-17-8

Elsewhere

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