5,5,6,6,7,7-hexafluoro-1,3-dioxocane

C6H6F6O2 — CID 548452

IUPAC5,5,6,6,7,7-hexafluoro-1,3-dioxocane
SMILESFC1(F)COCOCC(F)(F)C1(F)F
InChIInChI=1S/C6H6F6O2/c7-4(8)1-13-3-14-2-5(9,10)6(4,11)12/h1-3H2
InChIKeyCMXKJHAIDVVKGY-UHFFFAOYSA-N
MW224.10 g/mol
LogP1.90
Rot. Bonds

About 5,5,6,6,7,7-hexafluoro-1,3-dioxocane

5,5,6,6,7,7-hexafluoro-1,3-dioxocane (PubChem CID 548452) has the molecular formula C6H6F6O2 and a molecular weight of 224.10 g/mol. Its IUPAC name is 5,5,6,6,7,7-hexafluoro-1,3-dioxocane.

Molecular Properties

Compound Name5,5,6,6,7,7-hexafluoro-1,3-dioxocane
PubChem CID548452
Molecular FormulaC6H6F6O2
Molecular Weight224.10 g/mol
Exact Mass224.03
IUPAC Name5,5,6,6,7,7-hexafluoro-1,3-dioxocane
SMILESFC1(F)COCOCC(F)(F)C1(F)F
InChIInChI=1S/C6H6F6O2/c7-4(8)1-13-3-14-2-5(9,10)6(4,11)12/h1-3H2
InChIKeyCMXKJHAIDVVKGY-UHFFFAOYSA-N
XLogP1.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.10
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5,6,6,7,7-hexafluoro-1,3-dioxocane?
The IUPAC name of 5,5,6,6,7,7-hexafluoro-1,3-dioxocane (CID 548452) is 5,5,6,6,7,7-hexafluoro-1,3-dioxocane.
What is the SMILES notation for 5,5,6,6,7,7-hexafluoro-1,3-dioxocane?
The canonical SMILES for 5,5,6,6,7,7-hexafluoro-1,3-dioxocane is FC1(F)COCOCC(F)(F)C1(F)F.
What is the InChIKey of 5,5,6,6,7,7-hexafluoro-1,3-dioxocane?
The InChIKey is CMXKJHAIDVVKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F6O2/c7-4(8)1-13-3-14-2-5(9,10)6(4,11)12/h1-3H2.
What are the key properties of 5,5,6,6,7,7-hexafluoro-1,3-dioxocane?
5,5,6,6,7,7-hexafluoro-1,3-dioxocane has a molecular weight of 224.10 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6,7,7-hexafluoro-1,3-dioxocane is sourced from PubChem (CID 548452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).