2,2,3,3,4,4-Hexafluoro-5-hydroxypentyl 4-methylbenzenesulfonate
Basic information
- CAS
2728-37-2- Standard SMILES
Cc1ccc(S(=O)(=O)OCC(F)(F)C(F)(F)C(F)(F)CO)cc1- InChIKey
QKIYIFRDNZARRM-UHFFFAOYSA-N- Molecular formula
- C12H12F6O4S
- Average molar mass
- 366.28 g/mol
- Monoisotopic mass
- 366.03604901
Names & identifiers
- Preferred name
- 2,2,3,3,4,4-Hexafluoro-5-hydroxypentyl 4-methylbenzenesulfonate
- IUPAC
- (2,2,3,3,4,4-hexafluoro-5-hydroxypentyl) 4-methylbenzenesulfonate
Names & synonyms
2,2,3,3,4,4-hexafluoro-5-hydroxypentyl 4-methylbenzenesulfonate2728-37-22,2,3,3,4,4-Hexafluoro-5-hydroxypentyl 4-methylbenzene-1-sulfonateNSC137880SCHEMBL9293183DTXSID50950006QKIYIFRDNZARRM-UHFFFAOYSA-NNSC-137880A1-21154
Database identifiers
- CAS
2728-37-2- PubChem CID
- 283349
- DTXSID
DTXSID50950006
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 494
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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