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

C13F25N — CID 142661385

About 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

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 (PubChem CID 142661385) has the molecular formula C13F25N and a molecular weight of 645.10 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 142661385
• Molecular Formula: C13F25N
• Molecular Weight: 645.10 g/mol
• Exact Mass: 644.96
• IUPAC Name: 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
• SMILES: FC(F)(F)C1(F)N(C2(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
• InChI: InChI=1S/C13F25N/c14-1(11(31,32)33)2(15,16)5(21,22)9(29,6(23,24)3(1,17)18)39-10(30,12(34,35)36)7(25,26)4(19,20)8(27,28)13(39,37)38
• InChIKey: LOWLYCLLWOXBKY-UHFFFAOYSA-N
• XLogP: 7.52
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	645.10
LogP ≤ 5	7.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is FC(F)(F)C1(F)N(C2(F)C(F)(F)C(F)(F)C(F)(C(F)(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 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?

The InChIKey is LOWLYCLLWOXBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13F25N/c14-1(11(31,32)33)2(15,16)5(21,22)9(29,6(23,24)3(1,17)18)39-10(30,12(34,35)36)7(25,26)4(19,20)8(27,28)13(39,37)38.

What are the key properties of 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?

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 has a molecular weight of 645.10 g/mol, XLogP of 7.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 142661385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).