Basic information
- Standard SMILES
Fc1cc(Cl)c(SCC(F)(F)F)cc1-c1cnnn1C(F)(F)F- InChIKey
QSOIMPOUPQRZJF-UHFFFAOYSA-N- Molecular formula
- C11H5ClF7N3S
- Average molar mass
- 379.68 g/mol
Names & identifiers
- Preferred name
- [2-Chloro-4-fluoro-5-(3-trifluoromethyltriazolyl)phenyl] 2,2,2-trifluoroethyl sulfide
- IUPAC
- 5-[4-chloro-2-fluoro-5-(2,2,2-trifluoroethylsulfanyl)phenyl]-1-(trifluoromethyl)triazole
Names & synonyms
[2-chloro-4-fluoro-5-(3-trifluoromethyltriazolyl)phenyl] 2,2,2-trifluoroethyl sulfideSCHEMBL3480500
Database identifiers
- PubChem CID
- 86587601
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 56 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 408
Related reactions
3 records
Compound notes
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