chempirical

2-Fluoro-3-phenyl-2-propenoic acid

C9H7FO2CAS 350-90-3166.15 g/mol

Open in Covalent MOL file
OHOF
AlkeneCarboxylic acidVinyl halide

Properties

Molecular formula
C9H7FO2
Molar mass
166.15 g/mol
Exact mass
166.0430 Da
Melting point
156–157 °C
logP
2.08Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
350-90-3
SMILES
O=C(O)C(F)=Cc1ccccc1
InChIKey
QONCEXMULRJPPY-UHFFFAOYSA-N
InChI
InChI=1S/C9H7FO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6H,(H,11,12)

Weigh it out

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

Names and synonyms

5 names
  • 2-Propenoic acid, 2-fluoro-3-phenyl-
  • Cinnamic acid, α-fluoro-
  • α-Fluorocinnamic acid
  • NSC 102780
  • 2-Fluoro-3-phenylacrylic acid

Work with 2-Fluoro-3-phenyl-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

α-Methylcinnamic acid1199-77-558 % similar Alpha-phenylcinnamic acid91-48-558 % similar α-Cyanocinnamic acid1011-92-354 % similar 2-(Acetylamino)-3-phenyl-2-propenoic acid5469-45-449 % similar Phenylglyoxylic acid611-73-442 % similar Cinnamic acid140-10-340 % similar 3-(Phenylmethylene)-2,4-pentanedione4335-90-440 % similar α-Phenylacrylic acid492-38-640 % similar

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

Same formula

7-Fluoro-4-chromanone113209-68-0 4-Fluoro-7-hydroxy-1-indanone136191-16-7 trans-4-Fluorocinnamic acid14290-86-9 (2E)-3-(3-Fluorophenyl)-2-propenoic acid20595-30-6 3-(2-Fluorophenyl)-2-propenoic acid451-69-4 3-(3-Fluorophenyl)-2-propenoic acid458-46-8 3-(4-Fluorophenyl)-2-propenoic acid459-32-5 6-Fluoro-2,3-dihydro-4H-1-benzopyran-4-one66892-34-0

Elsewhere

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