Basic information
- Standard SMILES
CCOC(=O)C(=CN(c1ccc(F)c(F)c1F)[C@@H](C)CO)C(=O)OCC- InChIKey
RIEABDGOOGWJDV-JTQLQIEISA-N- Molecular formula
- C17H20F3NO5
- Average molar mass
- 375.34 g/mol
Names & identifiers
- Preferred name
- Diethyl [2,3,4-trifluoro[(1S)-2-hydroxy-1-methylethyl]anilino]methylenemalonate
- IUPAC
- diethyl 2-[(2,3,4-trifluoro-N-[(2S)-1-hydroxypropan-2-yl]anilino)methylidene]propanedioate
Names & synonyms
RIEABDGOOGWJDV-JTQLQIEISA-Ndiethyl [2,3,4-trifluoro [(1S)-2-hydroxy-1-methylethyl]anilino]methylenemalonateDiethyl [2,3,4-trifluoro[(1S)-2-hydroxy-1-methylethyl]anilino]methylenemalonate
Database identifiers
- PubChem CID
- 11485652
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 497
Related reactions
29 records
Linked notes
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