1-Propen-1-ol, 2,3,3-trifluoro-, 1-(4-methylbenzenesulfonate)
Basic information
- CAS
178906-26-8- Standard SMILES
Cc1ccc(S(=O)(=O)OC=C(F)C(F)F)cc1- InChIKey
OJRFVQVTRZONNA-UHFFFAOYSA-N- Molecular formula
- C10H9F3O3S
- Average molar mass
- 266.24 g/mol
- Monoisotopic mass
- 266.0224498
Names & identifiers
- Preferred name
- 1-Propen-1-ol, 2,3,3-trifluoro-, 1-(4-methylbenzenesulfonate)
- IUPAC
- 2,3,3-trifluoroprop-1-enyl 4-methylbenzenesulfonate
Names & synonyms
SCHEMBL17460396DTXSID0010229621-Propen-1-ol, 2,3,3-trifluoro-, 1-(4-methylbenzenesulfonate)178906-26-8
Database identifiers
- CAS
178906-26-8- PubChem CID
- 85308567
- DTXSID
DTXSID001022962
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 365
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Compound notes
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