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

C12F23N — CID 142761520

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

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

2,2,3,3,4,5,5,6,6-nonafluoro-4-(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)piperidine (PubChem CID 142761520) has the molecular formula C12F23N and a molecular weight of 595.09 g/mol. Its IUPAC name is 2,2,3,3,4,5,5,6,6-nonafluoro-4-(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)piperidine.

Molecular Properties

Compound Name2,2,3,3,4,5,5,6,6-nonafluoro-4-(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)piperidine
PubChem CID142761520
Molecular FormulaC12F23N
Molecular Weight595.09 g/mol
Exact Mass594.97
IUPAC Name2,2,3,3,4,5,5,6,6-nonafluoro-4-(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)piperidine
SMILESFC(F)(F)C1(F)C(F)(F)C(F)(F)N(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/C12F23N/c13-1(10(29,30)31)2(14,15)11(32,33)36(12(34,35)3(1,16)17)9(28)7(24,25)5(20,21)4(18,19)6(22,23)8(9,26)27
InChIKeyIVNVFPNWBIDACI-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 2,2,3,3,4,5,5,6,6-nonafluoro-4-(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)piperidine with MolForge

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Related Compounds

1-(1,2,2,3,3,4,5,5,6,6-Decafluoro-4-(trifluoromethyl)cyclohexyl)-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine
CID 121962
Perfluoro(1-cyclohexylpiperidine)
CID 14270448
Perfluoromethylcyclohexylpiperidine
CID 87173346
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
2,2,3,3,4,5,5,6,6-Nonafluoro-1-(1,1,2,2,3,3,3-heptafluoropropyl)-4-(trifluoromethyl)piperidine
CID 23160651
Perfluoro-N-(4-methylcyclohexyl)-1-methylpiperidinium
CID 88081075
1-[1,1,2,2,3,3,4,5,5,6,6,6-Dodecafluoro-4-(trifluoromethyl)hexyl]-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine
CID 91154239
2,2,3,3,4,4,5,5,6,6-Decafluoro-1-[2,2,3,3,4,5,5,6,6-nonafluoro-1,4-bis(trifluoromethyl)cyclohexyl]piperidine
CID 141517476
1-[1,2,2,3,3,4,5,5,6,6-Decafluoro-4-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,4,5,5,6-nonafluoro-6-(trifluoromethyl)piperidine
CID 142661385
1-[2,2,3,3,4,4,5,5,6,6-Decafluoro-1-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine
CID 142772647
1-[Difluoro-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methyl]-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine
CID 177721122
1-[1,2,2,3,3,4,5,5,6,6-Decafluoro-4-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,5,5,6,6-nonafluoro-4-(trifluoromethyl)piperidine
CID 10283000

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,5,5,6,6-nonafluoro-4-(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)piperidine?
The IUPAC name of 2,2,3,3,4,5,5,6,6-nonafluoro-4-(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)piperidine (CID 142761520) is 2,2,3,3,4,5,5,6,6-nonafluoro-4-(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)piperidine.
What is the SMILES notation for 2,2,3,3,4,5,5,6,6-nonafluoro-4-(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)piperidine?
The canonical SMILES for 2,2,3,3,4,5,5,6,6-nonafluoro-4-(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)piperidine is FC(F)(F)C1(F)C(F)(F)C(F)(F)N(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 2,2,3,3,4,5,5,6,6-nonafluoro-4-(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)piperidine?
The InChIKey is IVNVFPNWBIDACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12F23N/c13-1(10(29,30)31)2(14,15)11(32,33)36(12(34,35)3(1,16)17)9(28)7(24,25)5(20,21)4(18,19)6(22,23)8(9,26)27.
What are the key properties of 2,2,3,3,4,5,5,6,6-nonafluoro-4-(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)piperidine?
2,2,3,3,4,5,5,6,6-nonafluoro-4-(trifluoromethyl)-1-(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 2,2,3,3,4,5,5,6,6-nonafluoro-4-(trifluoromethyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)piperidine is sourced from PubChem (CID 142761520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).