Basic information
- Standard SMILES
Cc1ccc(SC(F)(F)C(F)Cl)cc1- InChIKey
IBWZJGRIWSCQHS-UHFFFAOYSA-N- Molecular formula
- C9H8ClF3S
- Average molar mass
- 240.67 g/mol
Names & identifiers
- Preferred name
- 4-(1,1,2-Trifluoro-2-chloroethylthio)toluene
- IUPAC
- 1-(2-chloro-1,1,2-trifluoroethyl)sulfanyl-4-methylbenzene
Names & synonyms
MFCD290660284-(1,1,2-trifluoro-2-chloroethylthio)toluene80397-18-8SCHEMBL111240894-[(2-Chloro-1,1,2-trifluoroethyl)thio]methylbenzene1-(2-chloro-1,1,2-trifluoroethyl)sulfanyl-4-methylbenzene1-(2-chloro-1,1,2-trifluoro-ethyl)sulfanyl-4-methyl-benzene4-[(2-Chloro-1,1,2-trifluoroethyl)thio]methylbenzene, 98%
Database identifiers
- PubChem CID
- 20530646
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 181
Related reactions
1 records
Compound notes
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