2,2,3,3,4,4,5-heptafluoro-5-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)oxolane

C10F18O — CID 13451005

IUPAC2,2,3,3,4,4,5-heptafluoro-5-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)oxolane
SMILESFC1(F)OC(F)(C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C10F18O/c11-1(9(26)7(22,23)8(24,25)10(27,28)29-9)2(12,13)4(16,17)6(20,21)5(18,19)3(1,14)15
InChIKeyZJBUCSSXSSXAGN-UHFFFAOYSA-N
MW478.07 g/mol
LogP5.44
Rot. Bonds1

About 2,2,3,3,4,4,5-heptafluoro-5-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)oxolane

2,2,3,3,4,4,5-heptafluoro-5-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)oxolane (PubChem CID 13451005) has the molecular formula C10F18O and a molecular weight of 478.07 g/mol. Its IUPAC name is 2,2,3,3,4,4,5-heptafluoro-5-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)oxolane.

Molecular Properties

Compound Name2,2,3,3,4,4,5-heptafluoro-5-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)oxolane
PubChem CID13451005
Molecular FormulaC10F18O
Molecular Weight478.07 g/mol
Exact Mass477.97
IUPAC Name2,2,3,3,4,4,5-heptafluoro-5-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)oxolane
SMILESFC1(F)OC(F)(C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C10F18O/c11-1(9(26)7(22,23)8(24,25)10(27,28)29-9)2(12,13)4(16,17)6(20,21)5(18,19)3(1,14)15
InChIKeyZJBUCSSXSSXAGN-UHFFFAOYSA-N
XLogP5.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.07
LogP ≤ 55.44
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-heptafluoro-5-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)oxolane?
The IUPAC name of 2,2,3,3,4,4,5-heptafluoro-5-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)oxolane (CID 13451005) is 2,2,3,3,4,4,5-heptafluoro-5-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)oxolane.
What is the SMILES notation for 2,2,3,3,4,4,5-heptafluoro-5-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)oxolane?
The canonical SMILES for 2,2,3,3,4,4,5-heptafluoro-5-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)oxolane is FC1(F)OC(F)(C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,4,4,5-heptafluoro-5-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)oxolane?
The InChIKey is ZJBUCSSXSSXAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F18O/c11-1(9(26)7(22,23)8(24,25)10(27,28)29-9)2(12,13)4(16,17)6(20,21)5(18,19)3(1,14)15.
What are the key properties of 2,2,3,3,4,4,5-heptafluoro-5-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)oxolane?
2,2,3,3,4,4,5-heptafluoro-5-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)oxolane has a molecular weight of 478.07 g/mol, XLogP of 5.44, 1 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-heptafluoro-5-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)oxolane is sourced from PubChem (CID 13451005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).