1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxynonane

C15H3F27O — CID 15210908

About 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxynonane

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxynonane (PubChem CID 15210908) has the molecular formula C15H3F27O and a molecular weight of 712.13 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxynonane.

Molecular Properties

• Compound Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxynonane
• PubChem CID: 15210908
• Molecular Formula: C15H3F27O
• Molecular Weight: 712.13 g/mol
• Exact Mass: 711.98
• IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxynonane
• SMILES: FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C15H3F27O/c16-4(17)7(22,23)11(32,33)13(36,37)14(38,39)12(34,35)10(30,31)5(18,19)1-43-3(6(20,21)15(40,41)42)2(8(24,25)26)9(27,28)29/h4H,1H2
• InChIKey: ZYKMVDFHLFDJAD-UHFFFAOYSA-N
• XLogP: 9.29
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	712.13
LogP ≤ 5	9.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxynonane?

The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxynonane (CID 15210908) is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxynonane.

What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxynonane?

The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxynonane is FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F.

What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxynonane?

The InChIKey is ZYKMVDFHLFDJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H3F27O/c16-4(17)7(22,23)11(32,33)13(36,37)14(38,39)12(34,35)10(30,31)5(18,19)1-43-3(6(20,21)15(40,41)42)2(8(24,25)26)9(27,28)29/h4H,1H2.

What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxynonane?

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxynonane has a molecular weight of 712.13 g/mol, XLogP of 9.29, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxynonane is sourced from PubChem (CID 15210908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).