Basic information
- Standard SMILES
CC(=CC(=O)OC(C)C)Nc1cccc(C(F)(F)F)c1- InChIKey
VIFHQOCVENHKMT-UHFFFAOYSA-N- Molecular formula
- C14H16F3NO2
- Average molar mass
- 287.28 g/mol
- Monoisotopic mass
- 287.11331324
Names & identifiers
- Preferred name
- Isopropyl 3-{[3-(trifluoromethyl)phenyl]amino}-2-butenoate
- IUPAC
- propan-2-yl 3-[3-(trifluoromethyl)anilino]but-2-enoate
Names & synonyms
Isopropyl 3-{[3-(trifluoromethyl)phenyl]amino}-2-butenoateSCHEMBL2884463
Database identifiers
- PubChem CID
- 68427757
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 364
Related reactions
2 records
Compound notes
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