Basic information
- CAS
75898-96-3- Standard SMILES
CC(=O)N[C@@H](CSC(F)(F)CBr)C(=O)O- InChIKey
GAAHETXJPVEDFP-YFKPBYRVSA-N- Molecular formula
- C7H10BrF2NO3S
- Average molar mass
- 306.13 g/mol
- Monoisotopic mass
- 304.95328
Names & identifiers
- Preferred name
- L-Cysteine, N-acetyl-S-(2-bromo-1,1-difluoroethyl)-
- IUPAC
- (2R)-2-acetamido-3-(2-bromo-1,1-difluoroethyl)sulfanylpropanoic acid
Names & synonyms
L-Cysteine, N-acetyl-S-(2-bromo-1,1-difluoroethyl)-75898-96-3N-acetyl-S-(2-bromo-1,1-difluoroethyl)-L-cysteineDTXSID10226815
Database identifiers
- CAS
75898-96-3- PubChem CID
- 153802
- DTXSID
DTXSID10226815
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 252
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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