Basic information
- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1cc(F)cc(F)c1)C(=O)Cl- InChIKey
CPDCSUDWYWFWOW-NSHDSACASA-N- Molecular formula
- C14H16ClF2NO3
- Average molar mass
- 319.73 g/mol
Names & identifiers
- Preferred name
- t-butyl-(1S)-2-chloro-1-[3,5-difluorobenzyl]-2-oxoethylcarbamate
- IUPAC
- tert-butyl N-[(2S)-1-chloro-3-(3,5-difluorophenyl)-1-oxopropan-2-yl]carbamate
Names & synonyms
CPDCSUDWYWFWOW-NSHDSACASA-Nt-butyl-(15)-2-chloro-1-[3,5-difluorobenzyl]-2-oxoethylcarbamatet-butyl-(1S)-2-chloro-1-[3,5-difluorobenzyl]-2-oxoethylcarbamate
Database identifiers
- PubChem CID
- 9836718
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 377
Related reactions
2 records
Compound notes
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