Basic information
- CAS
34844-46-7- Standard SMILES
CC(C)(C)C(O)CC(O)(C(F)(F)F)C(F)(F)F- InChIKey
MYLMNOAFAYNVFZ-UHFFFAOYSA-N- Molecular formula
- C9H14F6O2
- Average molar mass
- 268.2 g/mol
- Monoisotopic mass
- 268.08979866
Names & identifiers
- Preferred name
- 1,1,1-Trifluoro-5,5-dimethyl-2-(trifluoromethyl)hexane-2,4-diol
- IUPAC
- 1,1,1-trifluoro-5,5-dimethyl-2-(trifluoromethyl)hexane-2,4-diol
- English name
- 1,1,1-Trifluoro-2-(trifluoromethyl)-5,5-dimethyl-2,4-hexanediol
- Molecular formula
- C9H14F6O2
- Molecular weight
- 268.2
Names & synonyms
34844-46-71,1,1-trifluoro-5,5-dimethyl-2-(trifluoromethyl)hexane-2,4-diolDTXSID50956326RefChem:1051672DTXCID2013842935,5-Dimethyl-1,1,1-trifluoro-2-trifluoromethyl-2,4-hexanediolNSC6641872,4-HEXANEDIOL, 5,5-DIMETHYL-1,1,1-TRIFLUORO-2-TRIFLUOROMETHYL-BRN 2253451CHEMBL1983029MYLMNOAFAYNVFZ-UHFFFAOYSA-N1,1,1-Trifluoro-2-(trifluoromethyl)-5,5-dimethyl-2,4-hexanediol
Show more names
2,4-Hexanediol, 1,1,1-trifluoro-5,5-dimethyl-2-(trifluoromethyl)-
NSC-664187NCI60_0220861,1,1-Trifluoro-5,5-dimethyl-2-(trifluoromethyl)-2,4-hexanediol
Database identifiers
- CAS
34844-46-7- PubChem CID
- 36949
- DTXSID
DTXSID50956326- ChEMBL
CHEMBL1983029- Nikkaji
- J73.695C
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 248
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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