1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]piperidine

C15H18F11NO — CID 130427250

About 1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]piperidine

1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]piperidine (PubChem CID 130427250) has the molecular formula C15H18F11NO and a molecular weight of 437.29 g/mol. Its IUPAC name is 1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]piperidine.

Molecular Properties

• Compound Name: 1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]piperidine
• PubChem CID: 130427250
• Molecular Formula: C15H18F11NO
• Molecular Weight: 437.29 g/mol
• Exact Mass: 437.12
• IUPAC Name: 1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]piperidine
• SMILES: FC(C(F)(F)F)C(F)(F)C1CCC(C(F)(C(F)N2CCCCC2)C(F)(F)F)O1
• InChI: InChI=1S/C15H18F11NO/c16-10(14(21,22)23)13(19,20)9-5-4-8(28-9)12(18,15(24,25)26)11(17)27-6-2-1-3-7-27/h8-11H,1-7H2
• InChIKey: GQLCYYDJHPHFOY-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.29
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]piperidine?

The IUPAC name of 1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]piperidine (CID 130427250) is 1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]piperidine.

What is the SMILES notation for 1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]piperidine?

The canonical SMILES for 1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]piperidine is FC(C(F)(F)F)C(F)(F)C1CCC(C(F)(C(F)N2CCCCC2)C(F)(F)F)O1.

What is the InChIKey of 1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]piperidine?

The InChIKey is GQLCYYDJHPHFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F11NO/c16-10(14(21,22)23)13(19,20)9-5-4-8(28-9)12(18,15(24,25)26)11(17)27-6-2-1-3-7-27/h8-11H,1-7H2.

What are the key properties of 1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]piperidine?

1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]piperidine has a molecular weight of 437.29 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]piperidine is sourced from PubChem (CID 130427250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).