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

C11H11F10IO — CID 163891348

IUPAC2-(1,1-difluoro-2-iodopropyl)-3-(1,1-difluoro-2-methylpropyl)-2,3,4,4,5,5-hexafluorooxolane
SMILESCC(I)C(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)C(F)(F)C(C)C
InChIInChI=1S/C11H11F10IO/c1-4(2)6(12,13)8(16)9(17,18)11(20,21)23-10(8,19)7(14,15)5(3)22/h4-5H,1-3H3
InChIKeyQBULBKGXCJBTHQ-UHFFFAOYSA-N
MW476.09 g/mol
LogP5.37
Rot. Bonds4

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

2-(1,1-difluoro-2-iodopropyl)-3-(1,1-difluoro-2-methylpropyl)-2,3,4,4,5,5-hexafluorooxolane (PubChem CID 163891348) has the molecular formula C11H11F10IO and a molecular weight of 476.09 g/mol. Its IUPAC name is 2-(1,1-difluoro-2-iodopropyl)-3-(1,1-difluoro-2-methylpropyl)-2,3,4,4,5,5-hexafluorooxolane.

Molecular Properties

Compound Name2-(1,1-difluoro-2-iodopropyl)-3-(1,1-difluoro-2-methylpropyl)-2,3,4,4,5,5-hexafluorooxolane
PubChem CID163891348
Molecular FormulaC11H11F10IO
Molecular Weight476.09 g/mol
Exact Mass475.97
IUPAC Name2-(1,1-difluoro-2-iodopropyl)-3-(1,1-difluoro-2-methylpropyl)-2,3,4,4,5,5-hexafluorooxolane
SMILESCC(I)C(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)C(F)(F)C(C)C
InChIInChI=1S/C11H11F10IO/c1-4(2)6(12,13)8(16)9(17,18)11(20,21)23-10(8,19)7(14,15)5(3)22/h4-5H,1-3H3
InChIKeyQBULBKGXCJBTHQ-UHFFFAOYSA-N
XLogP5.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.09
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'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-iodopropyl)-3-(1,1-difluoro-2-methylpropyl)-2,3,4,4,5,5-hexafluorooxolane?
The IUPAC name of 2-(1,1-difluoro-2-iodopropyl)-3-(1,1-difluoro-2-methylpropyl)-2,3,4,4,5,5-hexafluorooxolane (CID 163891348) is 2-(1,1-difluoro-2-iodopropyl)-3-(1,1-difluoro-2-methylpropyl)-2,3,4,4,5,5-hexafluorooxolane.
What is the SMILES notation for 2-(1,1-difluoro-2-iodopropyl)-3-(1,1-difluoro-2-methylpropyl)-2,3,4,4,5,5-hexafluorooxolane?
The canonical SMILES for 2-(1,1-difluoro-2-iodopropyl)-3-(1,1-difluoro-2-methylpropyl)-2,3,4,4,5,5-hexafluorooxolane is CC(I)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-iodopropyl)-3-(1,1-difluoro-2-methylpropyl)-2,3,4,4,5,5-hexafluorooxolane?
The InChIKey is QBULBKGXCJBTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F10IO/c1-4(2)6(12,13)8(16)9(17,18)11(20,21)23-10(8,19)7(14,15)5(3)22/h4-5H,1-3H3.
What are the key properties of 2-(1,1-difluoro-2-iodopropyl)-3-(1,1-difluoro-2-methylpropyl)-2,3,4,4,5,5-hexafluorooxolane?
2-(1,1-difluoro-2-iodopropyl)-3-(1,1-difluoro-2-methylpropyl)-2,3,4,4,5,5-hexafluorooxolane has a molecular weight of 476.09 g/mol, XLogP of 5.37, 4 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-iodopropyl)-3-(1,1-difluoro-2-methylpropyl)-2,3,4,4,5,5-hexafluorooxolane is sourced from PubChem (CID 163891348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).