Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)OCCCC(F)(F)F)cc1- InChIKey
GCDCOBYBHQJKDU-UHFFFAOYSA-N- Molecular formula
- C11H13F3O3S
- Average molar mass
- 282.28 g/mol
- Monoisotopic mass
- 282.05374993
Names & identifiers
- Preferred name
- 4,4,4-Trifluorobutyl 4-methylbenzenesulfonate
- IUPAC
- 4,4,4-trifluorobutyl 4-methylbenzenesulfonate
Names & synonyms
4,4,4-trifluorobutyl 4-methylbenzenesulfonate2317-53-54,4,4-trifluorobutyl 4-methylbenzene-1-sulfonateSCHEMBL2830841-Tosyloxy-4,4,4-trifluorobutaneSS-7007DB-132991F95295EN300-7316892
Database identifiers
- PubChem CID
- 13620747
- Nikkaji
- J1.833.786J
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 338
Related reactions
5 records
Compound notes
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