Basic information
- CAS
13652-13-6- Standard SMILES
Cc1ccc(S(=O)(=O)OC(c2ccccc2)C(F)(F)F)cc1- InChIKey
ZQSPVDCJGDZANF-UHFFFAOYSA-N- Molecular formula
- C15H13F3O3S
- Average molar mass
- 330.3 g/mol
- Monoisotopic mass
- 330.05374993
Names & identifiers
- Preferred name
- 2,2,2-Trifluoro-1-phenylethyl p-toluenesulfonate
- IUPAC
- (2,2,2-trifluoro-1-phenylethyl) 4-methylbenzenesulfonate
Names & synonyms
2,2,2-Trifluoro-1-phenylethyl p-toluenesulfonate13652-13-6DTXSID60301303RefChem:242508DTXCID10252437NSC142253SCHEMBL85838952,2,2-trifluoro-1-phenylethyl 4-methylbenzene-1-sulfonateBenzenemethanol, a-(trifluoromethyl)-,1-(4-methylbenzenesulfonate)NSC-142253DS-0069152,2,2-Trifluoro-1-phenylethyl 4-methylbenzenesulfonate #
Database identifiers
- CAS
13652-13-6- PubChem CID
- 285387
- DTXSID
DTXSID60301303- Nikkaji
- J543.085B
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 442
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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