Basic information
- CAS
153342-07-5- Standard SMILES
N[C@@H](CSC(F)(F)C(F)Br)C(=O)O- InChIKey
RRRCLNJWFFTDQS-PTLFGRINSA-N- Molecular formula
- C5H7BrF3NO2S
- Average molar mass
- 282.08 g/mol
- Monoisotopic mass
- 280.9333
Names & identifiers
- Preferred name
- S-(2-Bromo-1,1,2-trifluoroethyl)-L-cysteine
- IUPAC
- (2R)-2-amino-3-(2-bromo-1,1,2-trifluoroethyl)sulfanylpropanoic acid
Names & synonyms
S-(2-Bromo-1,1,2-trifluoroethyl)-L-cysteine153342-07-5CCRIS 6662DTXSID60934736S-(2-Bromo-1,1,2-trifluoroethyl)cysteine(2R)-2-Amino-3-((2-bromo-1,1,2-trifluoroethyl)thio)propanoic acid
Database identifiers
- CAS
153342-07-5- PubChem CID
- 154667
- DTXSID
DTXSID60934736- Nikkaji
- J587.915I
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 195
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…