chempirical

2,4-Difluorocinnamic acid

C9H6F2O2CAS 774-73-2184.14 g/mol

Open in Covalent MOL file
FFOOH
AlkeneAryl halideCarboxylic 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2
Double bonds
EE/Z, in SMILES order

Hazards

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

Identifiers

CAS number
774-73-2
SMILES
C1=CC(=C(C=C1F)F)/C=C/C(=O)O
InChIKey
PQDXPFJQTKGTFP-DUXPYHPUSA-N
InChI
InChI=1S/C9H6F2O2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+

Weigh it out

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

Work with 2,4-Difluorocinnamic 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-(4-Bromo-2-fluorophenyl)-2-propenoic acid149947-19-370 % similar 3-(4-Chloro-2-fluorophenyl)-2-propenoic acid202982-65-870 % similar (2E)-3-(4-Chloro-2-fluorophenyl)-2-propenoic acid312693-55-370 % similar 2,4,5-Trifluorocinnamic acid247170-17-868 % similar 2-Chloro-4-fluorocinnamic acid133220-86-768 % similar 3-(2,3,5-Trifluorophenyl)-2-propenoic acid237761-79-468 % similar 2-Bromo-4-fluorocinnamic acid289038-17-168 % similar 3-(2-Fluorophenyl)-2-propenoic acid451-69-466 % 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 3-(2,3-Difluorophenyl)-2-propenoic acid207981-48-4 3,5-Difluorocinnamic acid84315-23-1 5,7-Difluorochroman-4-one844648-22-2

Elsewhere

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