2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxane

C11F22O — CID 71380340

IUPAC2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)OC(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11F22O/c12-1(13,3(16,17)7(24,25)10(29,30)31)2(14,15)5(20,21)9(28)6(22,23)4(18,19)8(26,27)11(32,33)34-9
InChIKeyCBUDGIQWHQHTHD-UHFFFAOYSA-N
MW566.08 g/mol
LogP6.92
Rot. Bonds5

About 2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxane

2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxane (PubChem CID 71380340) has the molecular formula C11F22O and a molecular weight of 566.08 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxane.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxane
PubChem CID71380340
Molecular FormulaC11F22O
Molecular Weight566.08 g/mol
Exact Mass565.96
IUPAC Name2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)OC(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11F22O/c12-1(13,3(16,17)7(24,25)10(29,30)31)2(14,15)5(20,21)9(28)6(22,23)4(18,19)8(26,27)11(32,33)34-9
InChIKeyCBUDGIQWHQHTHD-UHFFFAOYSA-N
XLogP6.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.08
LogP ≤ 56.92
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 2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxane?
The IUPAC name of 2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxane (CID 71380340) is 2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxane.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxane?
The canonical SMILES for 2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)OC(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxane?
The InChIKey is CBUDGIQWHQHTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11F22O/c12-1(13,3(16,17)7(24,25)10(29,30)31)2(14,15)5(20,21)9(28)6(22,23)4(18,19)8(26,27)11(32,33)34-9.
What are the key properties of 2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxane?
2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxane has a molecular weight of 566.08 g/mol, XLogP of 6.92, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxane is sourced from PubChem (CID 71380340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).