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Basic information
- Standard SMILES
CCOC(=O)C(=CNC(C)(C)C)C(=O)c1cc(F)c(F)c(OC)c1F- InChIKey
AWXHGTXTYXKQHT-UHFFFAOYSA-N- Molecular formula
- C17H20F3NO4
- Average molar mass
- 359.34 g/mol
- Monoisotopic mass
- 359.13444261
Names & identifiers
- IUPAC
- ethyl 3-(tert-butylamino)-2-(2,4,5-trifluoro-3-methoxybenzoyl)prop-2-enoate
Database identifiers
- PubChem CID
- 72486432
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 519
Related reactions
1 records
Compound notes
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