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

C12F23N — CID 87570177

IUPAC2,2,3,3,4,4,5,5,6-nonafluoro-1-(trifluoromethyl)-6-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)piperidine
SMILESFC(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C12F23N/c13-1(2(14,15)4(18,19)6(22,23)5(20,21)3(1,16)17)10(30)8(26,27)7(24,25)9(28,29)11(31,32)36(10)12(33,34)35
InChIKeyOCYNFWXIVLGRIV-UHFFFAOYSA-N
MW595.09 g/mol
LogP6.88
Rot. Bonds1

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

2,2,3,3,4,4,5,5,6-nonafluoro-1-(trifluoromethyl)-6-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)piperidine (PubChem CID 87570177) has the molecular formula C12F23N and a molecular weight of 595.09 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6-nonafluoro-1-(trifluoromethyl)-6-(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-nonafluoro-1-(trifluoromethyl)-6-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)piperidine
PubChem CID87570177
Molecular FormulaC12F23N
Molecular Weight595.09 g/mol
Exact Mass594.97
IUPAC Name2,2,3,3,4,4,5,5,6-nonafluoro-1-(trifluoromethyl)-6-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)piperidine
SMILESFC(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C12F23N/c13-1(2(14,15)4(18,19)6(22,23)5(20,21)3(1,16)17)10(30)8(26,27)7(24,25)9(28,29)11(31,32)36(10)12(33,34)35
InChIKeyOCYNFWXIVLGRIV-UHFFFAOYSA-N
XLogP6.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.09
LogP ≤ 56.88
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'}

Analyze 2,2,3,3,4,4,5,5,6-nonafluoro-1-(trifluoromethyl)-6-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)piperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6-nonafluoro-1-(trifluoromethyl)-6-(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-nonafluoro-1-(trifluoromethyl)-6-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)piperidine (CID 87570177) is 2,2,3,3,4,4,5,5,6-nonafluoro-1-(trifluoromethyl)-6-(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-nonafluoro-1-(trifluoromethyl)-6-(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-nonafluoro-1-(trifluoromethyl)-6-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)piperidine is FC(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C1(F)C(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-nonafluoro-1-(trifluoromethyl)-6-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)piperidine?
The InChIKey is OCYNFWXIVLGRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12F23N/c13-1(2(14,15)4(18,19)6(22,23)5(20,21)3(1,16)17)10(30)8(26,27)7(24,25)9(28,29)11(31,32)36(10)12(33,34)35.
What are the key properties of 2,2,3,3,4,4,5,5,6-nonafluoro-1-(trifluoromethyl)-6-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)piperidine?
2,2,3,3,4,4,5,5,6-nonafluoro-1-(trifluoromethyl)-6-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)piperidine has a molecular weight of 595.09 g/mol, XLogP of 6.88, 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-nonafluoro-1-(trifluoromethyl)-6-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)piperidine is sourced from PubChem (CID 87570177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).