Basic information
- Standard SMILES
CC[C@H](COS(C)(=O)=O)Cc1ccc(F)cc1F- InChIKey
MVKFULRBYXRHRR-VIFPVBQESA-N- Molecular formula
- C12H16F2O3S
- Average molar mass
- 278.32 g/mol
Names & identifiers
- Preferred name
- (2S)-methanesulfonic acid 2-(2,4-difluoro-benzyl)-butyl ester
- IUPAC
- [(2S)-2-[(2,4-difluorophenyl)methyl]butyl] methanesulfonate
Names & synonyms
SCHEMBL4992725MVKFULRBYXRHRR-VIFPVBQESA-N(2S)-methanesulfonic acid 2-(2,4-difluoro-benzyl)-butyl ester
Database identifiers
- PubChem CID
- 87760874
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 340
Related reactions
8 records
Compound notes
Loading…