1,1,1-Trifluoro-4-methyl-6-phenyl-2-(trifluoromethyl)hexane-2,4-diol
Basic information
- CAS
101914-06-1- Standard SMILES
CC(O)(CCc1ccccc1)CC(O)(C(F)(F)F)C(F)(F)F- InChIKey
WJHDTFXGJFXIGK-UHFFFAOYSA-N- Molecular formula
- C14H16F6O2
- Average molar mass
- 330.27 g/mol
- Monoisotopic mass
- 330.10544872
Names & identifiers
- Preferred name
- 1,1,1-Trifluoro-4-methyl-6-phenyl-2-(trifluoromethyl)hexane-2,4-diol
- IUPAC
- 1,1,1-trifluoro-4-methyl-6-phenyl-2-(trifluoromethyl)hexane-2,4-diol
Names & synonyms
101914-06-1DTXSID509068261,1,1-trifluoro-4-methyl-6-phenyl-2-(trifluoromethyl)hexane-2,4-diolRefChem:1051671DTXCID0013359214-Methyl-6-phenyl-1,1,1-trifluoro-2-trifluoromethyl-2,4-hexanediolNSC1623142,4-HEXANEDIOL, 4-METHYL-6-PHENYL-1,1,1-TRIFLUORO-2-(TRIFLUOROMETYL)-NSC-1623142,4-Hexanediol, 1,1,1-trifluoro-4-methyl-6-phenyl-2-(trifluoromethyl)-
Database identifiers
- CAS
101914-06-1- PubChem CID
- 59119
- DTXSID
DTXSID50906826- Nikkaji
- J73.697J
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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