2-(2,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)-4,4,6,6-tetrafluoro-1,3-dioxane

C15H26F4O2 — CID 129106148

IUPAC2-(2,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)-4,4,6,6-tetrafluoro-1,3-dioxane
SMILESCC(C)C(C)(C)C1(CC(C)(C)C)OC(F)(F)CC(F)(F)O1
InChIInChI=1S/C15H26F4O2/c1-10(2)12(6,7)13(8-11(3,4)5)20-14(16,17)9-15(18,19)21-13/h10H,8-9H2,1-7H3
InChIKeyJLDAHGLCGWSZBV-UHFFFAOYSA-N
MW314.36 g/mol
LogP5.42
Rot. Bonds3

About 2-(2,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)-4,4,6,6-tetrafluoro-1,3-dioxane

2-(2,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)-4,4,6,6-tetrafluoro-1,3-dioxane (PubChem CID 129106148) has the molecular formula C15H26F4O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-(2,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)-4,4,6,6-tetrafluoro-1,3-dioxane.

Molecular Properties

Compound Name2-(2,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)-4,4,6,6-tetrafluoro-1,3-dioxane
PubChem CID129106148
Molecular FormulaC15H26F4O2
Molecular Weight314.36 g/mol
Exact Mass314.19
IUPAC Name2-(2,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)-4,4,6,6-tetrafluoro-1,3-dioxane
SMILESCC(C)C(C)(C)C1(CC(C)(C)C)OC(F)(F)CC(F)(F)O1
InChIInChI=1S/C15H26F4O2/c1-10(2)12(6,7)13(8-11(3,4)5)20-14(16,17)9-15(18,19)21-13/h10H,8-9H2,1-7H3
InChIKeyJLDAHGLCGWSZBV-UHFFFAOYSA-N
XLogP5.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.36
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)-4,4,6,6-tetrafluoro-1,3-dioxane?
The IUPAC name of 2-(2,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)-4,4,6,6-tetrafluoro-1,3-dioxane (CID 129106148) is 2-(2,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)-4,4,6,6-tetrafluoro-1,3-dioxane.
What is the SMILES notation for 2-(2,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)-4,4,6,6-tetrafluoro-1,3-dioxane?
The canonical SMILES for 2-(2,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)-4,4,6,6-tetrafluoro-1,3-dioxane is CC(C)C(C)(C)C1(CC(C)(C)C)OC(F)(F)CC(F)(F)O1.
What is the InChIKey of 2-(2,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)-4,4,6,6-tetrafluoro-1,3-dioxane?
The InChIKey is JLDAHGLCGWSZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F4O2/c1-10(2)12(6,7)13(8-11(3,4)5)20-14(16,17)9-15(18,19)21-13/h10H,8-9H2,1-7H3.
What are the key properties of 2-(2,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)-4,4,6,6-tetrafluoro-1,3-dioxane?
2-(2,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)-4,4,6,6-tetrafluoro-1,3-dioxane has a molecular weight of 314.36 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylbutan-2-yl)-2-(2,2-dimethylpropyl)-4,4,6,6-tetrafluoro-1,3-dioxane is sourced from PubChem (CID 129106148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).