2,2,3,5,6,6-hexafluoro-1,4-dioxane

C4H2F6O2 — CID 74024068

IUPAC2,2,3,5,6,6-hexafluoro-1,4-dioxane
SMILESFC1OC(F)C(F)(F)OC1(F)F
InChIInChI=1S/C4H2F6O2/c5-1-3(7,8)12-4(9,10)2(6)11-1/h1-2H
InChIKeyBHWGBRDOGDIPJP-UHFFFAOYSA-N
MW196.05 g/mol
LogP1.81
Rot. Bonds

About 2,2,3,5,6,6-hexafluoro-1,4-dioxane

2,2,3,5,6,6-hexafluoro-1,4-dioxane (PubChem CID 74024068) has the molecular formula C4H2F6O2 and a molecular weight of 196.05 g/mol. Its IUPAC name is 2,2,3,5,6,6-hexafluoro-1,4-dioxane.

Molecular Properties

Compound Name2,2,3,5,6,6-hexafluoro-1,4-dioxane
PubChem CID74024068
Molecular FormulaC4H2F6O2
Molecular Weight196.05 g/mol
Exact Mass196.00
IUPAC Name2,2,3,5,6,6-hexafluoro-1,4-dioxane
SMILESFC1OC(F)C(F)(F)OC1(F)F
InChIInChI=1S/C4H2F6O2/c5-1-3(7,8)12-4(9,10)2(6)11-1/h1-2H
InChIKeyBHWGBRDOGDIPJP-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

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Related Compounds

(2R,5R)-2-[chloro(difluoro)methyl]-4,4,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane
CID 23237419
(1R,2S,6R,7S)-3,3,5,5,8,8,10,10-octafluoro-4,9-dioxatricyclo[5.3.1.02,6]undecane
CID 11098531
4,4,5-trifluoro-2-(1,1,2,3,3-pentafluoroprop-2-enyl)-2-(trifluoromethyl)-1,3-dioxolane
CID 90243315
2,2,3,3,4,5,5,6,6-nonafluorooxane
CID 73057419
(3S,4R)-2,2,3,5,5-pentafluoro-4-fluorosulfonyloxyoxolane
CID 23261239
4,4,5-trifluoro-2-hydroxy-1,3,2-dioxaborolane
CID 150591171
4,4,5,6,7,7-hexafluoro-1,3,2-dioxathiepane
CID 89312221
2,2-bis[chloro(difluoro)methyl]-3,4,4-trifluorooxetane
CID 23262814
4,5,5-trifluoro-1,3-oxathiolan-2-one
CID 59128181
methane;2,2,3,3-tetrafluorooxirane
CID 174885785
2,2,5-trifluoro-4-(hydroxymethyl)-1,3-dioxolan-4-ol
CID 131967198
2,3,3-trifluorooxolane
CID 142163643

Frequently Asked Questions

What is the IUPAC name of 2,2,3,5,6,6-hexafluoro-1,4-dioxane?
The IUPAC name of 2,2,3,5,6,6-hexafluoro-1,4-dioxane (CID 74024068) is 2,2,3,5,6,6-hexafluoro-1,4-dioxane.
What is the SMILES notation for 2,2,3,5,6,6-hexafluoro-1,4-dioxane?
The canonical SMILES for 2,2,3,5,6,6-hexafluoro-1,4-dioxane is FC1OC(F)C(F)(F)OC1(F)F.
What is the InChIKey of 2,2,3,5,6,6-hexafluoro-1,4-dioxane?
The InChIKey is BHWGBRDOGDIPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F6O2/c5-1-3(7,8)12-4(9,10)2(6)11-1/h1-2H.
What are the key properties of 2,2,3,5,6,6-hexafluoro-1,4-dioxane?
2,2,3,5,6,6-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 2,2,3,5,6,6-hexafluoro-1,4-dioxane is sourced from PubChem (CID 74024068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).