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

C10H8FNO3CAS 60252-79-1209.18 g/mol

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OHOOHNF
AlkeneAmideAryl halideCarboxylic 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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

(2E)-4-((4-Methoxyphenyl)amino)-4-oxo-2-butenoic acid37902-60-663 % similar (2E)-N-(4-Fluorophenyl)-2-(hydroxyimino)acetamide351-09-756 % similar 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 2,4-Difluorocinnamic acid774-73-245 % similar 2,4-Difluorocinnamic acid94977-52-345 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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