2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-1-piperidin-1-ylpropan-1-one

C14H10F17NO3 — CID 2827955

About 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-1-piperidin-1-ylpropan-1-one

2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-1-piperidin-1-ylpropan-1-one (PubChem CID 2827955) has the molecular formula C14H10F17NO3 and a molecular weight of 563.20 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

• Compound Name: 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-1-piperidin-1-ylpropan-1-one
• PubChem CID: 2827955
• Molecular Formula: C14H10F17NO3
• Molecular Weight: 563.20 g/mol
• Exact Mass: 563.04
• IUPAC Name: 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-1-piperidin-1-ylpropan-1-one
• SMILES: O=C(N1CCCCC1)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C14H10F17NO3/c15-7(10(19,20)21,6(33)32-4-2-1-3-5-32)34-14(30,31)9(18,12(25,26)27)35-13(28,29)8(16,17)11(22,23)24/h1-5H2
• InChIKey: NAAVGJAQOMZPSW-UHFFFAOYSA-N
• XLogP: 5.87
• TPSA: 38.77 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.20
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-1-piperidin-1-ylpropan-1-one?

The IUPAC name of 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-1-piperidin-1-ylpropan-1-one (CID 2827955) is 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-1-piperidin-1-ylpropan-1-one.

What is the SMILES notation for 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-1-piperidin-1-ylpropan-1-one?

The canonical SMILES for 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-1-piperidin-1-ylpropan-1-one is O=C(N1CCCCC1)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F.

What is the InChIKey of 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-1-piperidin-1-ylpropan-1-one?

The InChIKey is NAAVGJAQOMZPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F17NO3/c15-7(10(19,20)21,6(33)32-4-2-1-3-5-32)34-14(30,31)9(18,12(25,26)27)35-13(28,29)8(16,17)11(22,23)24/h1-5H2.

What are the key properties of 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-1-piperidin-1-ylpropan-1-one?

2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-1-piperidin-1-ylpropan-1-one has a molecular weight of 563.20 g/mol, XLogP of 5.87, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 2827955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).