Basic information
- Standard SMILES
CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2cccc(F)c2F)CN(C[C@H](O)C(F)(F)F)C1=O- InChIKey
MRGZWBFRACWIRM-SWHYSGLUSA-N- Molecular formula
- C19H23F5N2O4
- Average molar mass
- 438.4 g/mol
- Monoisotopic mass
- 438.15779803
Names & identifiers
- Preferred name
- tert-Butyl {(3S,5S)-5-(2,3-difluorophenyl)-2-oxo-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]piperidin-3-yl}carbamate
- IUPAC
- tert-butyl N-[(3S,5S)-5-(2,3-difluorophenyl)-2-oxo-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]piperidin-3-yl]carbamate
Names & synonyms
tert-Butyl {(3S,5S)-5-(2,3-difluorophenyl)-2-oxo-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]piperidin-3-yl}carbamate
Database identifiers
- PubChem CID
- 86665203
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 625
Related reactions
6 records
Compound notes
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