Basic information
- CAS
124076-70-6- Standard SMILES
CC(=O)N[C@@H](CSC(F)(F)C(Cl)Cl)C(=O)O- InChIKey
CLHGZGQHCNUIIY-BYPYZUCNSA-N- Molecular formula
- C7H9Cl2F2NO3S
- Average molar mass
- 296.12 g/mol
- Monoisotopic mass
- 294.964826
Names & identifiers
- Preferred name
- L-Cysteine, N-acetyl-S-(2,2-dichloro-1,1-difluoroethyl)-
- IUPAC
- (2R)-2-acetamido-3-(2,2-dichloro-1,1-difluoroethyl)sulfanylpropanoic acid
Names & synonyms
124076-70-6L-Cysteine, N-acetyl-S-(2,2-dichloro-1,1-difluoroethyl)-N-Acetyl-S-(1,1-difluoro-2,2-dichloroethyl)-L-cysteineSCHEMBL20817480DTXSID60154215N-Acetyl-S-(2,2-dichloro-1,1-difluoroethyl)-L-cysteineCLHGZGQHCNUIIY-BYPYZUCNSA-N(R)-2-Acetamido-3-((2,2-dichloro-1,1-difluoroethyl)thio)propanoic acid
Database identifiers
- CAS
124076-70-6- PubChem CID
- 180232
- DTXSID
DTXSID60154215- Nikkaji
- J413.127D
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 278
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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