1,1,1,6,6,6-hexafluoro-2,5-dimethylhexane-2,5-diol

C8H12F6O2 — CID 10777300

IUPAC1,1,1,6,6,6-hexafluoro-2,5-dimethylhexane-2,5-diol
SMILESCC(O)(CCC(C)(O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H12F6O2/c1-5(15,7(9,10)11)3-4-6(2,16)8(12,13)14/h15-16H,3-4H2,1-2H3
InChIKeyQHGNOXDDLDFIGC-UHFFFAOYSA-N
MW254.17 g/mol
LogP2.39
Rot. Bonds3

About 1,1,1,6,6,6-hexafluoro-2,5-dimethylhexane-2,5-diol

1,1,1,6,6,6-hexafluoro-2,5-dimethylhexane-2,5-diol (PubChem CID 10777300) has the molecular formula C8H12F6O2 and a molecular weight of 254.17 g/mol. Its IUPAC name is 1,1,1,6,6,6-hexafluoro-2,5-dimethylhexane-2,5-diol.

Molecular Properties

Compound Name1,1,1,6,6,6-hexafluoro-2,5-dimethylhexane-2,5-diol
PubChem CID10777300
Molecular FormulaC8H12F6O2
Molecular Weight254.17 g/mol
Exact Mass254.07
IUPAC Name1,1,1,6,6,6-hexafluoro-2,5-dimethylhexane-2,5-diol
SMILESCC(O)(CCC(C)(O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H12F6O2/c1-5(15,7(9,10)11)3-4-6(2,16)8(12,13)14/h15-16H,3-4H2,1-2H3
InChIKeyQHGNOXDDLDFIGC-UHFFFAOYSA-N
XLogP2.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,6,6,6-hexafluoro-2,5-dimethylhexane-2,5-diol?
The IUPAC name of 1,1,1,6,6,6-hexafluoro-2,5-dimethylhexane-2,5-diol (CID 10777300) is 1,1,1,6,6,6-hexafluoro-2,5-dimethylhexane-2,5-diol.
What is the SMILES notation for 1,1,1,6,6,6-hexafluoro-2,5-dimethylhexane-2,5-diol?
The canonical SMILES for 1,1,1,6,6,6-hexafluoro-2,5-dimethylhexane-2,5-diol is CC(O)(CCC(C)(O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,6,6,6-hexafluoro-2,5-dimethylhexane-2,5-diol?
The InChIKey is QHGNOXDDLDFIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F6O2/c1-5(15,7(9,10)11)3-4-6(2,16)8(12,13)14/h15-16H,3-4H2,1-2H3.
What are the key properties of 1,1,1,6,6,6-hexafluoro-2,5-dimethylhexane-2,5-diol?
1,1,1,6,6,6-hexafluoro-2,5-dimethylhexane-2,5-diol has a molecular weight of 254.17 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,6,6,6-hexafluoro-2,5-dimethylhexane-2,5-diol is sourced from PubChem (CID 10777300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).