Basic information
- Standard SMILES
CCOC(=O)C(=CNC(C)CO)C(=O)c1cc(F)c(F)c(OC(C)=O)c1F- InChIKey
KYRUEFGCJICVNW-UHFFFAOYSA-N- Molecular formula
- C17H18F3NO6
- Average molar mass
- 389.3 g/mol
- Monoisotopic mass
- 389.10862178
Names & identifiers
- IUPAC
- ethyl 2-(3-acetyloxy-2,4,5-trifluorobenzoyl)-3-(1-hydroxypropan-2-ylamino)prop-2-enoate
Database identifiers
- PubChem CID
- 73675641
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 585
Related reactions
2 records
Compound notes
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