Basic information
- Standard SMILES
CC(O)CC(c1c(F)ccc(F)c1F)S(=O)(=O)c1ccc(Cl)cc1- InChIKey
CJNRRAPJOHUTTG-UHFFFAOYSA-N- Molecular formula
- C16H14ClF3O3S
- Average molar mass
- 378.8 g/mol
- Monoisotopic mass
- 378.0304277
Names & identifiers
- Preferred name
- 4-(4-Chloro-benzenesulfonyl)-4-(2,3,6-trifluoro-phenyl)-butan-2-ol
- IUPAC
- 4-(4-chlorophenyl)sulfonyl-4-(2,3,6-trifluorophenyl)butan-2-ol
Names & synonyms
SCHEMBL1365562CJNRRAPJOHUTTG-UHFFFAOYSA-N4-(4-Chloro-benzenesulfonyl)-4-(2,3,6-trifluoro-phenyl)-butan-2-ol
Database identifiers
- PubChem CID
- 58950581
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 505
Related reactions
3 records
Compound notes
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