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

C9H2F17N — CID 130266779

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

2,2,3,3,4,5,5,6,6-nonafluoro-1-(1,1,3,3,3-pentafluoropropyl)-4-(trifluoromethyl)piperidine (PubChem CID 130266779) has the molecular formula C9H2F17N and a molecular weight of 447.09 g/mol. Its IUPAC name is 2,2,3,3,4,5,5,6,6-nonafluoro-1-(1,1,3,3,3-pentafluoropropyl)-4-(trifluoromethyl)piperidine.

Molecular Properties

• Compound Name: 2,2,3,3,4,5,5,6,6-nonafluoro-1-(1,1,3,3,3-pentafluoropropyl)-4-(trifluoromethyl)piperidine
• PubChem CID: 130266779
• Molecular Formula: C9H2F17N
• Molecular Weight: 447.09 g/mol
• Exact Mass: 446.99
• IUPAC Name: 2,2,3,3,4,5,5,6,6-nonafluoro-1-(1,1,3,3,3-pentafluoropropyl)-4-(trifluoromethyl)piperidine
• SMILES: FC(F)(F)CC(F)(F)N1C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C1(F)F
• InChI: InChI=1S/C9H2F17N/c10-2(11,12)1-3(13,14)27-8(23,24)5(16,17)4(15,7(20,21)22)6(18,19)9(27,25)26/h1H2
• InChIKey: HHDJGWUNUWOQCH-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.09
LogP ≤ 5	5.57
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 2,2,3,3,4,5,5,6,6-nonafluoro-1-(1,1,3,3,3-pentafluoropropyl)-4-(trifluoromethyl)piperidine?

The IUPAC name of 2,2,3,3,4,5,5,6,6-nonafluoro-1-(1,1,3,3,3-pentafluoropropyl)-4-(trifluoromethyl)piperidine (CID 130266779) is 2,2,3,3,4,5,5,6,6-nonafluoro-1-(1,1,3,3,3-pentafluoropropyl)-4-(trifluoromethyl)piperidine.

What is the SMILES notation for 2,2,3,3,4,5,5,6,6-nonafluoro-1-(1,1,3,3,3-pentafluoropropyl)-4-(trifluoromethyl)piperidine?

The canonical SMILES for 2,2,3,3,4,5,5,6,6-nonafluoro-1-(1,1,3,3,3-pentafluoropropyl)-4-(trifluoromethyl)piperidine is FC(F)(F)CC(F)(F)N1C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C1(F)F.

What is the InChIKey of 2,2,3,3,4,5,5,6,6-nonafluoro-1-(1,1,3,3,3-pentafluoropropyl)-4-(trifluoromethyl)piperidine?

The InChIKey is HHDJGWUNUWOQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2F17N/c10-2(11,12)1-3(13,14)27-8(23,24)5(16,17)4(15,7(20,21)22)6(18,19)9(27,25)26/h1H2.

What are the key properties of 2,2,3,3,4,5,5,6,6-nonafluoro-1-(1,1,3,3,3-pentafluoropropyl)-4-(trifluoromethyl)piperidine?

2,2,3,3,4,5,5,6,6-nonafluoro-1-(1,1,3,3,3-pentafluoropropyl)-4-(trifluoromethyl)piperidine has a molecular weight of 447.09 g/mol, XLogP of 5.57, 2 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-1-(1,1,3,3,3-pentafluoropropyl)-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 130266779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).