2-(1,1,2,3,3,3-Hexafluoropropoxy)phenol
Basic information
- CAS
53998-00-8- Standard SMILES
Oc1ccccc1OC(F)(F)C(F)C(F)(F)F- InChIKey
ZRHUNWKSAYTSAM-UHFFFAOYSA-N- Molecular formula
- C9H6F6O2
- Average molar mass
- 260.13 g/mol
- Monoisotopic mass
- 260.0271984
Names & identifiers
- Preferred name
- 2-(1,1,2,3,3,3-Hexafluoropropoxy)phenol
- IUPAC
- 2-(1,1,2,3,3,3-hexafluoropropoxy)phenol
- English name
- 2-(1,1,2,3,3,3-Hexafluoropropoxy)phenol
- Molecular formula
- C9H6F6O2
- Molecular weight
- 260.13
Names & synonyms
2-(1,1,2,3,3,3-HEXAFLUOROPROPOXY)PHENOL53998-00-8MFCD03412247DTXSID70545630AKOS007930751DB-3459062-(1,1,2,3,3,3-Hexafluoro-propoxy)-phenolPhenol, 2-(1,1,2,3,3,3-hexafluoropropoxy)-
Database identifiers
- CAS
53998-00-8- PubChem CID
- 13638503
- DTXSID
DTXSID70545630
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Boiling point
- 69 · 69-71 °C(Press: 5 Torr)
- Density
- 1.461 · 1.461±0.06 g/cm3(Predicted)
- pka
- 8.66 · 8.66±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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