3,5-Difluorocinnamic 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
84315-23-1SMILES
C1=C(C=C(C=C1F)F)/C=C/C(=O)OInChIKey
MBAWRXICVNIUGY-OWOJBTEDSA-NInChI
InChI=1S/C9H6F2O2/c10-7-3-6(1-2-9(12)13)4-8(11)5-7/h1-5H,(H,12,13)/b2-1+Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- trans-3,5-Difluorocinnamic acid
Work with 3,5-Difluorocinnamic acid
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
(2E)-3-(3-Fluorophenyl)-2-propenoic acid20595-30-674 % similar
3-(3-Fluorophenyl)-2-propenoic acid458-46-874 % similar
3-(3,4,5-Trifluorophenyl)-2-propenoic acid152152-19-769 % similar
trans-4-Fluorocinnamic acid14290-86-968 % similar
3-(4-Fluorophenyl)-2-propenoic acid459-32-568 % similar
p-Phenylenediacrylic acid16323-43-659 % similar
3,5-Bis(trifluoromethyl)cinnamic acid155814-20-357 % similar
3-(2,3,5-Trifluorophenyl)-2-propenoic acid237761-79-457 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds