2,2-difluoro-1-piperidin-1-yl-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethanone

C14H10F17NO5 — CID 3119663

About 2,2-difluoro-1-piperidin-1-yl-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethanone

2,2-difluoro-1-piperidin-1-yl-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethanone (PubChem CID 3119663) has the molecular formula C14H10F17NO5 and a molecular weight of 595.20 g/mol. Its IUPAC name is 2,2-difluoro-1-piperidin-1-yl-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethanone.

Molecular Properties

• Compound Name: 2,2-difluoro-1-piperidin-1-yl-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethanone
• PubChem CID: 3119663
• Molecular Formula: C14H10F17NO5
• Molecular Weight: 595.20 g/mol
• Exact Mass: 595.03
• IUPAC Name: 2,2-difluoro-1-piperidin-1-yl-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethanone
• SMILES: O=C(N1CCCCC1)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F
• InChI: InChI=1S/C14H10F17NO5/c15-7(16,6(33)32-4-2-1-3-5-32)34-8(17,18)9(19,20)35-10(21,22)11(23,24)36-12(25,26)13(27,28)37-14(29,30)31/h1-5H2
• InChIKey: RCBXVOFGZISYGC-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 57.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	595.20
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-piperidin-1-yl-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethanone?

The IUPAC name of 2,2-difluoro-1-piperidin-1-yl-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethanone (CID 3119663) is 2,2-difluoro-1-piperidin-1-yl-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethanone.

What is the SMILES notation for 2,2-difluoro-1-piperidin-1-yl-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethanone?

The canonical SMILES for 2,2-difluoro-1-piperidin-1-yl-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethanone is O=C(N1CCCCC1)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F.

What is the InChIKey of 2,2-difluoro-1-piperidin-1-yl-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethanone?

The InChIKey is RCBXVOFGZISYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F17NO5/c15-7(16,6(33)32-4-2-1-3-5-32)34-8(17,18)9(19,20)35-10(21,22)11(23,24)36-12(25,26)13(27,28)37-14(29,30)31/h1-5H2.

What are the key properties of 2,2-difluoro-1-piperidin-1-yl-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethanone?

2,2-difluoro-1-piperidin-1-yl-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethanone has a molecular weight of 595.20 g/mol, XLogP of 5.73, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-difluoro-1-piperidin-1-yl-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]ethanone is sourced from PubChem (CID 3119663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).