2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)piperidine

C11F21N — CID 14270448

IUPAC2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)piperidine
SMILESFC1(F)N(C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11F21N/c12-1(13)2(14,15)5(20,21)9(28,6(22,23)3(1,16)17)33-10(29,30)7(24,25)4(18,19)8(26,27)11(33,31)32
InChIKeyOIRQPKJKSXGLIE-UHFFFAOYSA-N
MW545.09 g/mol
LogP6.25
Rot. Bonds1

About 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)piperidine

2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)piperidine (PubChem CID 14270448) has the molecular formula C11F21N and a molecular weight of 545.09 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)piperidine.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)piperidine
PubChem CID14270448
Molecular FormulaC11F21N
Molecular Weight545.09 g/mol
Exact Mass544.97
IUPAC Name2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)piperidine
SMILESFC1(F)N(C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11F21N/c12-1(13)2(14,15)5(20,21)9(28,6(22,23)3(1,16)17)33-10(29,30)7(24,25)4(18,19)8(26,27)11(33,31)32
InChIKeyOIRQPKJKSXGLIE-UHFFFAOYSA-N
XLogP6.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.09
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)piperidine?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)piperidine (CID 14270448) is 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)piperidine.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)piperidine?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)piperidine is FC1(F)N(C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)piperidine?
The InChIKey is OIRQPKJKSXGLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11F21N/c12-1(13)2(14,15)5(20,21)9(28,6(22,23)3(1,16)17)33-10(29,30)7(24,25)4(18,19)8(26,27)11(33,31)32.
What are the key properties of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)piperidine?
2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)piperidine has a molecular weight of 545.09 g/mol, XLogP of 6.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)piperidine is sourced from PubChem (CID 14270448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).