Basic information
- Standard SMILES
CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2ccccc2F)CN(CC(F)(F)F)C1=O- InChIKey
ZQZNIEBIQOAPMI-RISCZKNCSA-N- Molecular formula
- C18H22F4N2O3
- Average molar mass
- 390.4 g/mol
Names & identifiers
- Preferred name
- tert-Butyl [(3S,5S)-5-(2-fluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate
- IUPAC
- tert-butyl N-[(3S,5S)-5-(2-fluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate
Names & synonyms
tert-Butyl [(3S,5S)-5-(2-fluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamatetert-butyl[(3S,5S)-5-(2-fluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate
Database identifiers
- PubChem CID
- 86707239
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 548
Related reactions
2 records
Compound notes
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