Ethanesulfonic acid, 2,2,2-trifluoro-, 2,2-difluoroethyl ester
Basic information
- CAS
117186-51-3- Standard SMILES
O=S(=O)(CC(F)(F)F)OCC(F)F- InChIKey
JOFBOOXSNFQRHW-UHFFFAOYSA-N- Molecular formula
- C4H5F5O3S
- Average molar mass
- 228.14 g/mol
- Monoisotopic mass
- 227.987956
Names & identifiers
- Preferred name
- Ethanesulfonic acid, 2,2,2-trifluoro-, 2,2-difluoroethyl ester
- IUPAC
- 2,2-difluoroethyl 2,2,2-trifluoroethanesulfonate
Names & synonyms
Ethanesulfonic acid, 2,2,2-trifluoro-, 2,2-difluoroethyl ester117186-51-3
Database identifiers
- CAS
117186-51-3- PubChem CID
- 85568110
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 237
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Compound notes
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