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

C12F23N — CID 142772647

About 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

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 (PubChem CID 142772647) has the molecular formula C12F23N and a molecular weight of 595.09 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 142772647
• Molecular Formula: C12F23N
• Molecular Weight: 595.09 g/mol
• Exact Mass: 594.97
• IUPAC Name: 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
• SMILES: FC(F)(F)C1(N2C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
• InChI: InChI=1S/C12F23N/c13-2(14)1(10(29,30)31,3(15,16)5(19,20)6(21,22)4(2,17)18)36-11(32,33)8(25,26)7(23,24)9(27,28)12(36,34)35
• InChIKey: OMELVCQFDHGUAQ-UHFFFAOYSA-N
• XLogP: 6.88
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	595.09
LogP ≤ 5	6.88
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-[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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is FC(F)(F)C1(N2C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.

What is the InChIKey of 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?

The InChIKey is OMELVCQFDHGUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12F23N/c13-2(14)1(10(29,30)31,3(15,16)5(19,20)6(21,22)4(2,17)18)36-11(32,33)8(25,26)7(23,24)9(27,28)12(36,34)35.

What are the key properties of 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?

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 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 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 is sourced from PubChem (CID 142772647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).