Basic information
- CAS
43196-22-1- Standard SMILES
O=C(/C=C/c1cccc(F)c1)NCCO- InChIKey
ZICDDQOPRQSIRB-UHFFFAOYSA-N- Molecular formula
- C11H12FNO2
- Average molar mass
- 209.22 g/mol
- Monoisotopic mass
- 209.08520679
Names & identifiers
- Preferred name
- Cinnamamide, 3-fluoro-N-(2-hydroxyethyl)-
- IUPAC
- (E)-3-(3-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
- English name
- N-(2-Hydroxyethyl)-3-(3-fluorophenyl)propenamide
- Molecular formula
- C11H12FNO2
- Molecular weight
- 209.22
Names & synonyms
43196-22-1CINNAMAMIDE, 3-FLUORO-N-(2-HYDROXYETHYL)-RefChem:10816143-Fluoro-N-(2-hydroxyethyl)cinnamamideBRN 22665922-Propenamide, 3-(3-fluorophenyl)-N-(2-hydroxyethyl)-CHEMBL549720AKOS008930282N-(2-Hydroxyethyl)-3-(3-fluorophenyl)propenamide
Database identifiers
- CAS
43196-22-1- PubChem CID
- 6434366
- ChEMBL
CHEMBL549720- Nikkaji
- J75.220G
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Boiling point
- 436.7 · 436.7±45.0 °C(Predicted)
- Density
- 1.222 · 1.222±0.06 g/cm3(Predicted)
- pka
- 14.24 · 14.24±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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