Basic information
- Standard SMILES
CCOC(=O)C=C(C)c1cc(F)c(N)cc1F- InChIKey
JFQOSHFTRPOZEZ-UHFFFAOYSA-N- Molecular formula
- C12H13F2NO2
- Average molar mass
- 241.23 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-(4-amino-2,5-difluorophenyl)but-2-enoate
- IUPAC
- ethyl 3-(4-amino-2,5-difluorophenyl)but-2-enoate
Database identifiers
- PubChem CID
- 91038933
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 307
Related reactions
4 records
Compound notes
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