Basic information
- Standard SMILES
CC(C)(C)[S@@](=O)NC(CC#N)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1- InChIKey
RUEFESLCDJOXOC-MGBGTMOVSA-N- Molecular formula
- C21H20F6N2O3S
- Average molar mass
- 494.5 g/mol
- Monoisotopic mass
- 494.10988265
Names & identifiers
- Preferred name
- (R)-N-(2-cyano-1,1-bis(3-(trifluoromethoxy)phenyl)ethyl)-2-methylpropane-2-sulfinamide
- IUPAC
- (R)-N-[2-cyano-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide
Names & synonyms
(R)-N-(2-cyano-1,1-bis(3-(trifluoromethoxy)phenyl)ethyl)-2-methylpropane-2-sulfinamide
Database identifiers
- PubChem CID
- 59459074
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 90.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 692
Related reactions
6 records
Compound notes
Loading…