2,2,3,3,5,6-hexafluoro-5,6-bis(trifluoromethyl)-1,4-dioxane

C6F12O2 — CID 54145359

IUPAC2,2,3,3,5,6-hexafluoro-5,6-bis(trifluoromethyl)-1,4-dioxane
SMILESFC(F)(F)C1(F)OC(F)(F)C(F)(F)OC1(F)C(F)(F)F
InChIInChI=1S/C6F12O2/c7-1(3(9,10)11)2(8,4(12,13)14)20-6(17,18)5(15,16)19-1
InChIKeyODZPWRLCBLLODC-UHFFFAOYSA-N
MW332.04 g/mol
LogP3.67
Rot. Bonds

About 2,2,3,3,5,6-hexafluoro-5,6-bis(trifluoromethyl)-1,4-dioxane

2,2,3,3,5,6-hexafluoro-5,6-bis(trifluoromethyl)-1,4-dioxane (PubChem CID 54145359) has the molecular formula C6F12O2 and a molecular weight of 332.04 g/mol. Its IUPAC name is 2,2,3,3,5,6-hexafluoro-5,6-bis(trifluoromethyl)-1,4-dioxane.

Molecular Properties

Compound Name2,2,3,3,5,6-hexafluoro-5,6-bis(trifluoromethyl)-1,4-dioxane
PubChem CID54145359
Molecular FormulaC6F12O2
Molecular Weight332.04 g/mol
Exact Mass331.97
IUPAC Name2,2,3,3,5,6-hexafluoro-5,6-bis(trifluoromethyl)-1,4-dioxane
SMILESFC(F)(F)C1(F)OC(F)(F)C(F)(F)OC1(F)C(F)(F)F
InChIInChI=1S/C6F12O2/c7-1(3(9,10)11)2(8,4(12,13)14)20-6(17,18)5(15,16)19-1
InChIKeyODZPWRLCBLLODC-UHFFFAOYSA-N
XLogP3.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.04
LogP ≤ 53.67
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 2,2,3,3,5,6-hexafluoro-5,6-bis(trifluoromethyl)-1,4-dioxane?
The IUPAC name of 2,2,3,3,5,6-hexafluoro-5,6-bis(trifluoromethyl)-1,4-dioxane (CID 54145359) is 2,2,3,3,5,6-hexafluoro-5,6-bis(trifluoromethyl)-1,4-dioxane.
What is the SMILES notation for 2,2,3,3,5,6-hexafluoro-5,6-bis(trifluoromethyl)-1,4-dioxane?
The canonical SMILES for 2,2,3,3,5,6-hexafluoro-5,6-bis(trifluoromethyl)-1,4-dioxane is FC(F)(F)C1(F)OC(F)(F)C(F)(F)OC1(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,5,6-hexafluoro-5,6-bis(trifluoromethyl)-1,4-dioxane?
The InChIKey is ODZPWRLCBLLODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F12O2/c7-1(3(9,10)11)2(8,4(12,13)14)20-6(17,18)5(15,16)19-1.
What are the key properties of 2,2,3,3,5,6-hexafluoro-5,6-bis(trifluoromethyl)-1,4-dioxane?
2,2,3,3,5,6-hexafluoro-5,6-bis(trifluoromethyl)-1,4-dioxane has a molecular weight of 332.04 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,5,6-hexafluoro-5,6-bis(trifluoromethyl)-1,4-dioxane is sourced from PubChem (CID 54145359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).