2-[3,5-Bis(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
Basic information
- CAS
90780-28-2- Standard SMILES
COC(c1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(C(OC)(C(F)(F)F)C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F- InChIKey
JHTAOGVDSNSTFM-UHFFFAOYSA-N- Molecular formula
- C17H10F18O3
- Average molar mass
- 604.23 g/mol
- Monoisotopic mass
- 604.0342511
Names & identifiers
- Preferred name
- 2-[3,5-Bis(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
- IUPAC
- 2-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
Names & synonyms
90780-28-22-[3,5-bis(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-olNSC354411SCHEMBL10876412DTXSID50320068NSC-3544111,3-bis-(2-methoxyhexafluoro-2-propyl)-5-(2-hydroxyhexafluoro-2-propyl)-benzeneBenzenemethanol, 3,5-bis[2,2,2-trifluoro-1-methoxy-1-(trifluoromethyl)ethyl]-.alpha.,.alpha.-bis(trifluoromethyl)-
Database identifiers
- CAS
90780-28-2- PubChem CID
- 337235
- DTXSID
DTXSID50320068
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 5
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 725
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Related reactions
2 records
Compound notes
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