1,1,1,5,5,5-hexafluoro-2,4-dimethylpentane-2,4-diol

C7H10F6O2 — CID 10586103

IUPAC1,1,1,5,5,5-hexafluoro-2,4-dimethylpentane-2,4-diol
SMILESCC(O)(CC(C)(O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6O2/c1-4(14,6(8,9)10)3-5(2,15)7(11,12)13/h14-15H,3H2,1-2H3
InChIKeyAZELTSMQWJSURF-UHFFFAOYSA-N
MW240.14 g/mol
LogP2.00
Rot. Bonds2

About 1,1,1,5,5,5-hexafluoro-2,4-dimethylpentane-2,4-diol

1,1,1,5,5,5-hexafluoro-2,4-dimethylpentane-2,4-diol (PubChem CID 10586103) has the molecular formula C7H10F6O2 and a molecular weight of 240.14 g/mol. Its IUPAC name is 1,1,1,5,5,5-hexafluoro-2,4-dimethylpentane-2,4-diol.

Molecular Properties

Compound Name1,1,1,5,5,5-hexafluoro-2,4-dimethylpentane-2,4-diol
PubChem CID10586103
Molecular FormulaC7H10F6O2
Molecular Weight240.14 g/mol
Exact Mass240.06
IUPAC Name1,1,1,5,5,5-hexafluoro-2,4-dimethylpentane-2,4-diol
SMILESCC(O)(CC(C)(O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6O2/c1-4(14,6(8,9)10)3-5(2,15)7(11,12)13/h14-15H,3H2,1-2H3
InChIKeyAZELTSMQWJSURF-UHFFFAOYSA-N
XLogP2.00
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,4,4,5,5,5-Heptafluoro-2-methylpentan-2-ol
CID 540479
1,1,1-Trifluoro-2-(trifluoromethyl)-2,4-pentanediol
CID 118191
2,4-Pentanediol, 4-methyl-1,1,1-trifluoro-2-(trifluoromethyl)-
CID 294166
4,4,5,5,6,6,6-Heptafluoro-3-methylhexan-3-ol
CID 131853889
3,3,4,5,5,5-Hexafluoro-2-methylpentan-2-ol
CID 13442056
2-(4H-Perfluorobutyl)-2-propanol
CID 257708
5,5,5-Trifluoro-2-methylpentan-2-ol
CID 23272150
1,1,1-Trifluoro-2-(trifluoromethyl)hexan-2-ol
CID 12586965
1,1,1,3,3,4,4,5,5,5-Decafluoro-2-methylpentan-2-ol
CID 19761931
1,1,1,3,3-Pentafluoro-2-(trifluoromethyl)pentan-2-ol
CID 19788848
2-Fluoromethyl-1,1,1,3,3,4,4-heptafluoro-2-pentanol
CID 19788856
2-Fluoromethyl-1,1,1,3,3,4,4-heptafluoro-2-hexanol
CID 19788857

Frequently Asked Questions

What is the IUPAC name of 1,1,1,5,5,5-hexafluoro-2,4-dimethylpentane-2,4-diol?
The IUPAC name of 1,1,1,5,5,5-hexafluoro-2,4-dimethylpentane-2,4-diol (CID 10586103) is 1,1,1,5,5,5-hexafluoro-2,4-dimethylpentane-2,4-diol.
What is the SMILES notation for 1,1,1,5,5,5-hexafluoro-2,4-dimethylpentane-2,4-diol?
The canonical SMILES for 1,1,1,5,5,5-hexafluoro-2,4-dimethylpentane-2,4-diol is CC(O)(CC(C)(O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,5,5,5-hexafluoro-2,4-dimethylpentane-2,4-diol?
The InChIKey is AZELTSMQWJSURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6O2/c1-4(14,6(8,9)10)3-5(2,15)7(11,12)13/h14-15H,3H2,1-2H3.
What are the key properties of 1,1,1,5,5,5-hexafluoro-2,4-dimethylpentane-2,4-diol?
1,1,1,5,5,5-hexafluoro-2,4-dimethylpentane-2,4-diol has a molecular weight of 240.14 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,5,5,5-hexafluoro-2,4-dimethylpentane-2,4-diol is sourced from PubChem (CID 10586103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).