2,2,3,3,4,4-hexafluorohexane-1,6-diol

C6H8F6O2 — CID 176905212

IUPAC2,2,3,3,4,4-hexafluorohexane-1,6-diol
SMILESOCCC(F)(F)C(F)(F)C(F)(F)CO
InChIInChI=1S/C6H8F6O2/c7-4(8,1-2-13)6(11,12)5(9,10)3-14/h13-14H,1-3H2
InChIKeyMMJLDSVWCJVNCQ-UHFFFAOYSA-N
MW226.12 g/mol
LogP1.27
Rot. Bonds5

About 2,2,3,3,4,4-hexafluorohexane-1,6-diol

2,2,3,3,4,4-hexafluorohexane-1,6-diol (PubChem CID 176905212) has the molecular formula C6H8F6O2 and a molecular weight of 226.12 g/mol. Its IUPAC name is 2,2,3,3,4,4-hexafluorohexane-1,6-diol.

Molecular Properties

Compound Name2,2,3,3,4,4-hexafluorohexane-1,6-diol
PubChem CID176905212
Molecular FormulaC6H8F6O2
Molecular Weight226.12 g/mol
Exact Mass226.04
IUPAC Name2,2,3,3,4,4-hexafluorohexane-1,6-diol
SMILESOCCC(F)(F)C(F)(F)C(F)(F)CO
InChIInChI=1S/C6H8F6O2/c7-4(8,1-2-13)6(11,12)5(9,10)3-14/h13-14H,1-3H2
InChIKeyMMJLDSVWCJVNCQ-UHFFFAOYSA-N
XLogP1.27
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

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2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorononan-1-ol
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2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorononan-1-ol
CID 162621203
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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4-hexafluorohexane-1,6-diol?
The IUPAC name of 2,2,3,3,4,4-hexafluorohexane-1,6-diol (CID 176905212) is 2,2,3,3,4,4-hexafluorohexane-1,6-diol.
What is the SMILES notation for 2,2,3,3,4,4-hexafluorohexane-1,6-diol?
The canonical SMILES for 2,2,3,3,4,4-hexafluorohexane-1,6-diol is OCCC(F)(F)C(F)(F)C(F)(F)CO.
What is the InChIKey of 2,2,3,3,4,4-hexafluorohexane-1,6-diol?
The InChIKey is MMJLDSVWCJVNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6O2/c7-4(8,1-2-13)6(11,12)5(9,10)3-14/h13-14H,1-3H2.
What are the key properties of 2,2,3,3,4,4-hexafluorohexane-1,6-diol?
2,2,3,3,4,4-hexafluorohexane-1,6-diol has a molecular weight of 226.12 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4-hexafluorohexane-1,6-diol is sourced from PubChem (CID 176905212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).