4-[(4-Fluorophenyl)amino]-4-oxo-2-butenoic acid

C₁₀H₈FNO₃CAS 60252-79-1209.18 g/mol

Open in Covalent MOL file

Alkene Amide Aryl halide Carboxylic acid

Properties

Molecular formula: C₁₀H₈FNO₃
Molar mass: 209.18 g/mol
Exact mass: 209.0488 Da
logP: 1.41Crippen estimate
Polar surface area: 66.4 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3

Identifiers

CAS number

60252-79-1

SMILES

O=C(O)C=CC(=O)Nc1ccc(F)cc1

InChIKey

NRDZVHHPNZDWRA-UHFFFAOYSA-N

InChI

InChI=1S/C10H8FNO3/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(14)15/h1-6H,(H,12,13)(H,14,15)

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Names and synonyms

1 names

2-Butenoic acid, 4-[(4-fluorophenyl)amino]-4-oxo-

Work with 4-[(4-Fluorophenyl)amino]-4-oxo-2-butenoic 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-4-Fluorocinnamic acid14290-86-954 % similar 3-(4-Fluorophenyl)-2-propenoic acid459-32-554 % similar 3-(2-Bromo-5-fluorophenyl)-2-propenoic acid202865-70-147 % similar trans-2,5-Difluorocinnamic acid112898-33-645 % similar (2E)-3-(3-Fluorophenyl)-2-propenoic acid20595-30-644 % similar 3-(3-Fluorophenyl)-2-propenoic acid458-46-844 % similar 2-Chloro-4-fluorocinnamic acid133220-86-743 % similar Maleic acid110-16-739 % similar

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

Elsewhere

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