2-(1,1-difluoro-2,2-dimethylbutyl)-3-(1,1-difluoro-2-methylpropyl)-2,3,4,4,5,5-hexafluorooxolane

C14H18F10O — CID 122581424

IUPAC2-(1,1-difluoro-2,2-dimethylbutyl)-3-(1,1-difluoro-2-methylpropyl)-2,3,4,4,5,5-hexafluorooxolane
SMILESCCC(C)(C)C(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)C(F)(F)C(C)C
InChIInChI=1S/C14H18F10O/c1-6-8(4,5)11(18,19)13(22)10(17,9(15,16)7(2)3)12(20,21)14(23,24)25-13/h7H,6H2,1-5H3
InChIKeyKBOZTHNNBFMXSB-UHFFFAOYSA-N
MW392.28 g/mol
LogP5.98
Rot. Bonds5

About 2-(1,1-difluoro-2,2-dimethylbutyl)-3-(1,1-difluoro-2-methylpropyl)-2,3,4,4,5,5-hexafluorooxolane

2-(1,1-difluoro-2,2-dimethylbutyl)-3-(1,1-difluoro-2-methylpropyl)-2,3,4,4,5,5-hexafluorooxolane (PubChem CID 122581424) has the molecular formula C14H18F10O and a molecular weight of 392.28 g/mol. Its IUPAC name is 2-(1,1-difluoro-2,2-dimethylbutyl)-3-(1,1-difluoro-2-methylpropyl)-2,3,4,4,5,5-hexafluorooxolane.

Molecular Properties

Compound Name2-(1,1-difluoro-2,2-dimethylbutyl)-3-(1,1-difluoro-2-methylpropyl)-2,3,4,4,5,5-hexafluorooxolane
PubChem CID122581424
Molecular FormulaC14H18F10O
Molecular Weight392.28 g/mol
Exact Mass392.12
IUPAC Name2-(1,1-difluoro-2,2-dimethylbutyl)-3-(1,1-difluoro-2-methylpropyl)-2,3,4,4,5,5-hexafluorooxolane
SMILESCCC(C)(C)C(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)C(F)(F)C(C)C
InChIInChI=1S/C14H18F10O/c1-6-8(4,5)11(18,19)13(22)10(17,9(15,16)7(2)3)12(20,21)14(23,24)25-13/h7H,6H2,1-5H3
InChIKeyKBOZTHNNBFMXSB-UHFFFAOYSA-N
XLogP5.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.28
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-Tert-butyl-3,3-difluoro-2,4,4,5,5-pentamethyloxolane
CID 58637725
2-Tert-butyl-5-(2,2-dimethylpropyl)-3-fluoro-4-methyloxolane
CID 59848424
3-(5,5-Difluoro-6,6-dimethylheptyl)-3-methyloxolane
CID 68343130
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
2,2,3,4,4,5-Hexafluoro-3,5-dipropyloxolane
CID 87671787

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoro-2,2-dimethylbutyl)-3-(1,1-difluoro-2-methylpropyl)-2,3,4,4,5,5-hexafluorooxolane?
The IUPAC name of 2-(1,1-difluoro-2,2-dimethylbutyl)-3-(1,1-difluoro-2-methylpropyl)-2,3,4,4,5,5-hexafluorooxolane (CID 122581424) is 2-(1,1-difluoro-2,2-dimethylbutyl)-3-(1,1-difluoro-2-methylpropyl)-2,3,4,4,5,5-hexafluorooxolane.
What is the SMILES notation for 2-(1,1-difluoro-2,2-dimethylbutyl)-3-(1,1-difluoro-2-methylpropyl)-2,3,4,4,5,5-hexafluorooxolane?
The canonical SMILES for 2-(1,1-difluoro-2,2-dimethylbutyl)-3-(1,1-difluoro-2-methylpropyl)-2,3,4,4,5,5-hexafluorooxolane is CCC(C)(C)C(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)C(F)(F)C(C)C.
What is the InChIKey of 2-(1,1-difluoro-2,2-dimethylbutyl)-3-(1,1-difluoro-2-methylpropyl)-2,3,4,4,5,5-hexafluorooxolane?
The InChIKey is KBOZTHNNBFMXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F10O/c1-6-8(4,5)11(18,19)13(22)10(17,9(15,16)7(2)3)12(20,21)14(23,24)25-13/h7H,6H2,1-5H3.
What are the key properties of 2-(1,1-difluoro-2,2-dimethylbutyl)-3-(1,1-difluoro-2-methylpropyl)-2,3,4,4,5,5-hexafluorooxolane?
2-(1,1-difluoro-2,2-dimethylbutyl)-3-(1,1-difluoro-2-methylpropyl)-2,3,4,4,5,5-hexafluorooxolane has a molecular weight of 392.28 g/mol, XLogP of 5.98, 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-dimethylbutyl)-3-(1,1-difluoro-2-methylpropyl)-2,3,4,4,5,5-hexafluorooxolane is sourced from PubChem (CID 122581424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).