3,3,6,6-tetrafluorodioxane

C4H4F4O2 — CID 45090701

IUPAC3,3,6,6-tetrafluorodioxane
SMILESFC1(F)CCC(F)(F)OO1
InChIInChI=1S/C4H4F4O2/c5-3(6)1-2-4(7,8)10-9-3/h1-2H2
InChIKeyNELUOAGCYTWNFZ-UHFFFAOYSA-N
MW160.07 g/mol
LogP1.91
Rot. Bonds

About 3,3,6,6-tetrafluorodioxane

3,3,6,6-tetrafluorodioxane (PubChem CID 45090701) has the molecular formula C4H4F4O2 and a molecular weight of 160.07 g/mol. Its IUPAC name is 3,3,6,6-tetrafluorodioxane.

Molecular Properties

Compound Name3,3,6,6-tetrafluorodioxane
PubChem CID45090701
Molecular FormulaC4H4F4O2
Molecular Weight160.07 g/mol
Exact Mass160.01
IUPAC Name3,3,6,6-tetrafluorodioxane
SMILESFC1(F)CCC(F)(F)OO1
InChIInChI=1S/C4H4F4O2/c5-3(6)1-2-4(7,8)10-9-3/h1-2H2
InChIKeyNELUOAGCYTWNFZ-UHFFFAOYSA-N
XLogP1.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.07
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,6,6-tetrafluorodioxane?
The IUPAC name of 3,3,6,6-tetrafluorodioxane (CID 45090701) is 3,3,6,6-tetrafluorodioxane.
What is the SMILES notation for 3,3,6,6-tetrafluorodioxane?
The canonical SMILES for 3,3,6,6-tetrafluorodioxane is FC1(F)CCC(F)(F)OO1.
What is the InChIKey of 3,3,6,6-tetrafluorodioxane?
The InChIKey is NELUOAGCYTWNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F4O2/c5-3(6)1-2-4(7,8)10-9-3/h1-2H2.
What are the key properties of 3,3,6,6-tetrafluorodioxane?
3,3,6,6-tetrafluorodioxane has a molecular weight of 160.07 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6,6-tetrafluorodioxane is sourced from PubChem (CID 45090701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).