4-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-2,3,3,4,5,5-hexafluorooxolane

C13H18F8O — CID 89226710

IUPAC4-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-2,3,3,4,5,5-hexafluorooxolane
SMILESCC(C)(C)C(F)(F)C1(F)OC(F)(F)C(F)(C(C)(C)C)C1(F)F
InChIInChI=1S/C13H18F8O/c1-7(2,3)9(14)11(17,18)12(19,22-13(9,20)21)10(15,16)8(4,5)6/h1-6H3
InChIKeyCCZIHAVELOKLEG-UHFFFAOYSA-N
MW342.27 g/mol
LogP5.35
Rot. Bonds1

About 4-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-2,3,3,4,5,5-hexafluorooxolane

4-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-2,3,3,4,5,5-hexafluorooxolane (PubChem CID 89226710) has the molecular formula C13H18F8O and a molecular weight of 342.27 g/mol. Its IUPAC name is 4-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-2,3,3,4,5,5-hexafluorooxolane.

Molecular Properties

Compound Name4-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-2,3,3,4,5,5-hexafluorooxolane
PubChem CID89226710
Molecular FormulaC13H18F8O
Molecular Weight342.27 g/mol
Exact Mass342.12
IUPAC Name4-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-2,3,3,4,5,5-hexafluorooxolane
SMILESCC(C)(C)C(F)(F)C1(F)OC(F)(F)C(F)(C(C)(C)C)C1(F)F
InChIInChI=1S/C13H18F8O/c1-7(2,3)9(14)11(17,18)12(19,22-13(9,20)21)10(15,16)8(4,5)6/h1-6H3
InChIKeyCCZIHAVELOKLEG-UHFFFAOYSA-N
XLogP5.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.27
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-2,3,3,4,5,5-hexafluorooxolane with MolForge

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Related Compounds

6-(1,1-Difluoroethyl)-4-ethyl-4,6-difluoro-2,2,3,3-tetramethyloxane
CID 58249150
2-Tert-butyl-3,3-difluoro-2,4,4,5,5-pentamethyloxolane
CID 58637725
3-(5,5-Difluoro-6,6-dimethylheptyl)-3-methyloxolane
CID 68343130
3-(5,5-Difluoro-6,6-dimethylheptyl)-3-ethyl-4-methyloxolane
CID 68343134
3-(3,3-Difluoro-4-methylpentyl)-3-methyloxolane
CID 68343144
3-(6,6-Difluoro-7-methyloctyl)-3-methyloxolane
CID 68343175
3-(4,4-Difluoro-5-methylhexyl)-3-methyloxolane
CID 68343177
3-(4,4-Difluoro-5,5-dimethylhexyl)-3-methyloxolane
CID 68343241
3-(3,3-Difluoro-4,4-dimethylpentyl)-3-methyloxolane
CID 68343262
3-(3,3-Difluoropentyl)-3-methyloxolane
CID 68343272
3-(6,6-Difluorooctyl)-3-methyloxolane
CID 68343292
2-(1,1-Difluoro-2,2-dimethylbutyl)-3-methyloxolane
CID 71126485

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-2,3,3,4,5,5-hexafluorooxolane?
The IUPAC name of 4-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-2,3,3,4,5,5-hexafluorooxolane (CID 89226710) is 4-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-2,3,3,4,5,5-hexafluorooxolane.
What is the SMILES notation for 4-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-2,3,3,4,5,5-hexafluorooxolane?
The canonical SMILES for 4-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-2,3,3,4,5,5-hexafluorooxolane is CC(C)(C)C(F)(F)C1(F)OC(F)(F)C(F)(C(C)(C)C)C1(F)F.
What is the InChIKey of 4-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-2,3,3,4,5,5-hexafluorooxolane?
The InChIKey is CCZIHAVELOKLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F8O/c1-7(2,3)9(14)11(17,18)12(19,22-13(9,20)21)10(15,16)8(4,5)6/h1-6H3.
What are the key properties of 4-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-2,3,3,4,5,5-hexafluorooxolane?
4-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-2,3,3,4,5,5-hexafluorooxolane has a molecular weight of 342.27 g/mol, XLogP of 5.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-2,3,3,4,5,5-hexafluorooxolane is sourced from PubChem (CID 89226710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).