3-(2,3-Difluorophenyl)-2-propenoic acid

C₉H₆F₂O₂CAS 207981-48-4184.14 g/mol

Open in Covalent MOL file

Alkene Aryl halide Carboxylic acid

Properties

Molecular formula: C₉H₆F₂O₂
Molar mass: 184.14 g/mol
Exact mass: 184.0336 Da
logP: 2.06Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed16.7% of notifiers
H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

207981-48-4

SMILES

O=C(O)C=Cc1cccc(F)c1F

InChIKey

NVQHKPLMLCHFSU-UHFFFAOYSA-N

InChI

InChI=1S/C9H6F2O2/c10-7-3-1-2-6(9(7)11)4-5-8(12)13/h1-5H,(H,12,13)

Weigh it out

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

Names and synonyms

2 names

2-Propenoic acid, 3-(2,3-difluorophenyl)-
2,3-Difluorocinnamic acid

Work with 3-(2,3-Difluorophenyl)-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-(2,3,4-Trifluorophenyl)-2-propenoic acid207742-85-674 % similar 3-(2-Fluorophenyl)-2-propenoic acid451-69-474 % similar 3-(2,3,5-Trifluorophenyl)-2-propenoic acid237761-79-462 % similar trans-2-Chloro-6-fluorocinnamic acid392-22-357 % similar 2,4,5-Trifluorocinnamic acid247170-17-857 % similar 3-(4-Chloro-2-fluorophenyl)-2-propenoic acid202982-65-856 % similar (2E)-3-(4-Chloro-2-fluorophenyl)-2-propenoic acid312693-55-356 % similar 3-(3,4,5-Trifluorophenyl)-2-propenoic acid152152-19-755 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

trans-2,6-Difluorocinnamic acid102082-89-3 trans-3,4-Difluorocinnamic acid112897-97-9 trans-2,5-Difluorocinnamic acid112898-33-6 3,5-Difluorocinnamic acid147700-58-1 2,4-Difluorocinnamic acid774-73-2 3,5-Difluorocinnamic acid84315-23-1 5,7-Difluorochroman-4-one844648-22-2 2,4-Difluorocinnamic acid94977-52-3

Elsewhere

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