2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-1-piperidin-1-ylnonan-1-one

C14H11F16NO — CID 3430081

About 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-1-piperidin-1-ylnonan-1-one

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-1-piperidin-1-ylnonan-1-one (PubChem CID 3430081) has the molecular formula C14H11F16NO and a molecular weight of 513.22 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-1-piperidin-1-ylnonan-1-one.

Molecular Properties

• Compound Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-1-piperidin-1-ylnonan-1-one
• PubChem CID: 3430081
• Molecular Formula: C14H11F16NO
• Molecular Weight: 513.22 g/mol
• Exact Mass: 513.06
• IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-1-piperidin-1-ylnonan-1-one
• SMILES: O=C(N1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
• InChI: InChI=1S/C14H11F16NO/c15-6(16)8(17,18)10(21,22)12(25,26)14(29,30)13(27,28)11(23,24)9(19,20)7(32)31-4-2-1-3-5-31/h6H,1-5H2
• InChIKey: JJLKUIZXJIAJNY-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 20.31 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.22
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-1-piperidin-1-ylnonan-1-one?

The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-1-piperidin-1-ylnonan-1-one (CID 3430081) is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-1-piperidin-1-ylnonan-1-one.

What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-1-piperidin-1-ylnonan-1-one?

The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-1-piperidin-1-ylnonan-1-one is O=C(N1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.

What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-1-piperidin-1-ylnonan-1-one?

The InChIKey is JJLKUIZXJIAJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F16NO/c15-6(16)8(17,18)10(21,22)12(25,26)14(29,30)13(27,28)11(23,24)9(19,20)7(32)31-4-2-1-3-5-31/h6H,1-5H2.

What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-1-piperidin-1-ylnonan-1-one?

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-1-piperidin-1-ylnonan-1-one has a molecular weight of 513.22 g/mol, XLogP of 5.71, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-1-piperidin-1-ylnonan-1-one is sourced from PubChem (CID 3430081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).