Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)OCCC(=O)C(F)(F)F)cc1- InChIKey
ZUERAKHISVDXGW-UHFFFAOYSA-N- Molecular formula
- C11H11F3O4S
- Average molar mass
- 296.26 g/mol
Names & identifiers
- Preferred name
- (4,4,4-Trifluoro-3-oxobutyl) 4-methylbenzenesulfonate
- IUPAC
- (4,4,4-trifluoro-3-oxobutyl) 4-methylbenzenesulfonate
Names & synonyms
SCHEMBL9257069ZUERAKHISVDXGW-UHFFFAOYSA-N(4,4,4-trifluoro-3-oxobutyl) 4-methylbenzenesulfonate
Database identifiers
- PubChem CID
- 10108587
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 403
Related reactions
1 records
Compound notes
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