Basic information
- Standard SMILES
CC(C)(C)S(=O)N=Cc1cc(C(F)(F)F)ccc1C(F)(F)F- InChIKey
LKELVODZEVSIOE-UHFFFAOYSA-N- Molecular formula
- C13H13F6NOS
- Average molar mass
- 345.31 g/mol
Names & identifiers
- Preferred name
- N-{(1E)-[2,5-bis(trifluoromethyl)phenyl]methylene}-2-methylpropane-2-sulfinamide
- IUPAC
- N-[[2,5-bis(trifluoromethyl)phenyl]methylidene]-2-methylpropane-2-sulfinamide
Names & synonyms
N-{(1E)-[2,5-bis(trifluoromethyl)phenyl]methylene}-2-methylpropane-2-sulfinamideSCHEMBL2859367SCHEMBL2859370SCHEMBL34475330SCHEMBL34475911LKELVODZEVSIOE-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 76697409
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 48.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 437
Related reactions
1 records
Compound notes
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