Basic information
- Standard SMILES
Cc1cc(C)c(S(=O)CC(F)(F)F)cc1-n1cnc(C(F)(F)F)n1- InChIKey
AXJXMJMPSIZOSF-UHFFFAOYSA-N- Molecular formula
- C13H11F6N3OS
- Average molar mass
- 371.3 g/mol
- Monoisotopic mass
- 371.05270213
Names & identifiers
- Preferred name
- (+)-1-{2,4-dimethyl-5-[(2,2,2-trifluoroethyl)sulphinyl]phenyl}-3-(trifluoromethyl)-1H-1,2,4-triazole
- IUPAC
- 1-[2,4-dimethyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]-3-(trifluoromethyl)-1,2,4-triazole
Names & synonyms
(+)-1-{2,4-dimethyl-5-[(2,2,2-trifluoroethyl)sulphinyl]phenyl}-3-(trifluoromethyl)-1H-1,2,4-triazoleSCHEMBL122855
Database identifiers
- PubChem CID
- 44178229
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 67 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 472
Related reactions
3 records
Compound notes
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