Basic information
- Standard SMILES
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O- InChIKey
CUWXCXBLGHGWSF-BXUZGUMPSA-N- Molecular formula
- C19H23F5N2O3
- Average molar mass
- 422.4 g/mol
- Monoisotopic mass
- 422.1628837
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl N-((3R,6S)-6-(2,3-difluorophenyl)hexahydro-2-oxo-1-(2,2,2-trifluoroethyl)-1H-azepin-3-yl)carbamate
- IUPAC
- tert-butyl N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]carbamate
Names & synonyms
781650-42-81,1-Dimethylethyl N-[(3R,6S)-6-(2,3-difluorophenyl)hexahydro-2-oxo-1-(2,2,2-trifluoroethyl)-1H-azepin-3-yl]carbamate1,1-Dimethylethyl N-((3R,6S)-6-(2,3-difluorophenyl)hexahydro-2-oxo-1-(2,2,2-trifluoroethyl)-1H-azepin-3-yl)carbamateRefChem:213973tert-Butyl (3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-ylcarbamateCarbamic acid, N-[(3R,6S)-6-(2,3-difluorophenyl)hexahydro-2-oxo-1-(2,2,2-trifluoroethyl)-1H-azepin-3-yl]-, 1,1-dimethylethyl esterDTXSID001106447tert-Butyl(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-ylcarbamatetert-Butyl ((3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl)carbamateTERT-BUTYL N-[(3R,6S)-6-(2,3-DIFLUOROPHENYL)-2-OXO-1-(2,2,2-TRIFLUOROETHYL)AZEPAN-3-YL]CARBAMATE
Database identifiers
- CAS
781650-42-8- PubChem CID
- 86595042
- DTXSID
DTXSID001106447
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 593
Related reactions
18 records
Linked notes
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