Basic information
- Standard SMILES
CCOC(=O)/C=C(\N)CCc1ccc(F)cc1- InChIKey
WKVOVIFMPYUZRP-XFXZXTDPSA-N- Molecular formula
- C13H16FNO2
- Average molar mass
- 237.27 g/mol
- Monoisotopic mass
- 237.11650692
Names & identifiers
- Preferred name
- ethyl (2Z)-3-amino-5-(4-fluorophenyl)-2-pentenoate
- IUPAC
- ethyl (Z)-3-amino-5-(4-fluorophenyl)pent-2-enoate
Names & synonyms
SCHEMBL4670326WKVOVIFMPYUZRP-XFXZXTDPSA-Nethyl (2Z)-3-amino-5-(4-fluorophenyl)-2-pentenoateethyl (Z)-3-amino-5-(4-fluorophenyl)pent-2-enoate603999-18-4
Database identifiers
- PubChem CID
- 18441995
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 271
Related reactions
6 records
Compound notes
Loading…