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

C16H22F10O — CID 89094207

IUPAC2-(1,1-difluoro-2,2-dimethylpentyl)-3-(1,1-difluoro-2,2-dimethylpropyl)-2,3,4,4,5,5-hexafluorooxolane
SMILESCCCC(C)(C)C(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)C(F)(F)C(C)(C)C
InChIInChI=1S/C16H22F10O/c1-7-8-10(5,6)13(20,21)15(24)11(17,12(18,19)9(2,3)4)14(22,23)16(25,26)27-15/h7-8H2,1-6H3
InChIKeyGBRHBZZMZMHMHT-UHFFFAOYSA-N
MW420.33 g/mol
LogP6.76
Rot. Bonds5

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

2-(1,1-difluoro-2,2-dimethylpentyl)-3-(1,1-difluoro-2,2-dimethylpropyl)-2,3,4,4,5,5-hexafluorooxolane (PubChem CID 89094207) has the molecular formula C16H22F10O and a molecular weight of 420.33 g/mol. Its IUPAC name is 2-(1,1-difluoro-2,2-dimethylpentyl)-3-(1,1-difluoro-2,2-dimethylpropyl)-2,3,4,4,5,5-hexafluorooxolane.

Molecular Properties

Compound Name2-(1,1-difluoro-2,2-dimethylpentyl)-3-(1,1-difluoro-2,2-dimethylpropyl)-2,3,4,4,5,5-hexafluorooxolane
PubChem CID89094207
Molecular FormulaC16H22F10O
Molecular Weight420.33 g/mol
Exact Mass420.15
IUPAC Name2-(1,1-difluoro-2,2-dimethylpentyl)-3-(1,1-difluoro-2,2-dimethylpropyl)-2,3,4,4,5,5-hexafluorooxolane
SMILESCCCC(C)(C)C(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)C(F)(F)C(C)(C)C
InChIInChI=1S/C16H22F10O/c1-7-8-10(5,6)13(20,21)15(24)11(17,12(18,19)9(2,3)4)14(22,23)16(25,26)27-15/h7-8H2,1-6H3
InChIKeyGBRHBZZMZMHMHT-UHFFFAOYSA-N
XLogP6.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.33
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(1,1-difluoro-2,2-dimethylpentyl)-3-(1,1-difluoro-2,2-dimethylpropyl)-2,3,4,4,5,5-hexafluorooxolane?
The IUPAC name of 2-(1,1-difluoro-2,2-dimethylpentyl)-3-(1,1-difluoro-2,2-dimethylpropyl)-2,3,4,4,5,5-hexafluorooxolane (CID 89094207) is 2-(1,1-difluoro-2,2-dimethylpentyl)-3-(1,1-difluoro-2,2-dimethylpropyl)-2,3,4,4,5,5-hexafluorooxolane.
What is the SMILES notation for 2-(1,1-difluoro-2,2-dimethylpentyl)-3-(1,1-difluoro-2,2-dimethylpropyl)-2,3,4,4,5,5-hexafluorooxolane?
The canonical SMILES for 2-(1,1-difluoro-2,2-dimethylpentyl)-3-(1,1-difluoro-2,2-dimethylpropyl)-2,3,4,4,5,5-hexafluorooxolane is CCCC(C)(C)C(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)C(F)(F)C(C)(C)C.
What is the InChIKey of 2-(1,1-difluoro-2,2-dimethylpentyl)-3-(1,1-difluoro-2,2-dimethylpropyl)-2,3,4,4,5,5-hexafluorooxolane?
The InChIKey is GBRHBZZMZMHMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F10O/c1-7-8-10(5,6)13(20,21)15(24)11(17,12(18,19)9(2,3)4)14(22,23)16(25,26)27-15/h7-8H2,1-6H3.
What are the key properties of 2-(1,1-difluoro-2,2-dimethylpentyl)-3-(1,1-difluoro-2,2-dimethylpropyl)-2,3,4,4,5,5-hexafluorooxolane?
2-(1,1-difluoro-2,2-dimethylpentyl)-3-(1,1-difluoro-2,2-dimethylpropyl)-2,3,4,4,5,5-hexafluorooxolane has a molecular weight of 420.33 g/mol, XLogP of 6.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoro-2,2-dimethylpentyl)-3-(1,1-difluoro-2,2-dimethylpropyl)-2,3,4,4,5,5-hexafluorooxolane is sourced from PubChem (CID 89094207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).