2,2,3,3,5,5-hexafluoro-1,4-dioxane

C4H2F6O2 — CID 11194916

IUPAC2,2,3,3,5,5-hexafluoro-1,4-dioxane
SMILESFC1(F)COC(F)(F)C(F)(F)O1
InChIInChI=1S/C4H2F6O2/c5-2(6)1-11-3(7,8)4(9,10)12-2/h1H2
InChIKeyCCHYJTLJNKMSHR-UHFFFAOYSA-N
MW196.05 g/mol
LogP1.81
Rot. Bonds

About 2,2,3,3,5,5-hexafluoro-1,4-dioxane

2,2,3,3,5,5-hexafluoro-1,4-dioxane (PubChem CID 11194916) has the molecular formula C4H2F6O2 and a molecular weight of 196.05 g/mol. Its IUPAC name is 2,2,3,3,5,5-hexafluoro-1,4-dioxane.

Molecular Properties

Compound Name2,2,3,3,5,5-hexafluoro-1,4-dioxane
PubChem CID11194916
Molecular FormulaC4H2F6O2
Molecular Weight196.05 g/mol
Exact Mass196.00
IUPAC Name2,2,3,3,5,5-hexafluoro-1,4-dioxane
SMILESFC1(F)COC(F)(F)C(F)(F)O1
InChIInChI=1S/C4H2F6O2/c5-2(6)1-11-3(7,8)4(9,10)12-2/h1H2
InChIKeyCCHYJTLJNKMSHR-UHFFFAOYSA-N
XLogP1.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.05
LogP ≤ 51.81
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 2,2,3,3,5,5-hexafluoro-1,4-dioxane?
The IUPAC name of 2,2,3,3,5,5-hexafluoro-1,4-dioxane (CID 11194916) is 2,2,3,3,5,5-hexafluoro-1,4-dioxane.
What is the SMILES notation for 2,2,3,3,5,5-hexafluoro-1,4-dioxane?
The canonical SMILES for 2,2,3,3,5,5-hexafluoro-1,4-dioxane is FC1(F)COC(F)(F)C(F)(F)O1.
What is the InChIKey of 2,2,3,3,5,5-hexafluoro-1,4-dioxane?
The InChIKey is CCHYJTLJNKMSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F6O2/c5-2(6)1-11-3(7,8)4(9,10)12-2/h1H2.
What are the key properties of 2,2,3,3,5,5-hexafluoro-1,4-dioxane?
2,2,3,3,5,5-hexafluoro-1,4-dioxane has a molecular weight of 196.05 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,5,5-hexafluoro-1,4-dioxane is sourced from PubChem (CID 11194916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).