Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC(CCSC(F)(F)CCl)C(=O)O- InChIKey
CWXQOFIMWLFGQK-UHFFFAOYSA-N- Molecular formula
- C11H18ClF2NO4S
- Average molar mass
- 333.78 g/mol
Names & identifiers
- Preferred name
- N-Boc-S-(2-chloro-1,1-difluoroethyl)-D,L-homocysteine
- IUPAC
- 4-(2-chloro-1,1-difluoroethyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Names & synonyms
N-Boc-S-(2-chloro-1,1-difluoroethyl)-D,L-homocysteineSCHEMBL6813823
Database identifiers
- PubChem CID
- 18322437
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 350
Related reactions
1 records
Compound notes
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