1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-(1,2,2-trifluoroethenoxy)octane

C10F20O — CID 19837350

About 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-(1,2,2-trifluoroethenoxy)octane

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-(1,2,2-trifluoroethenoxy)octane (PubChem CID 19837350) has the molecular formula C10F20O and a molecular weight of 516.07 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-(1,2,2-trifluoroethenoxy)octane.

Molecular Properties

• Compound Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-(1,2,2-trifluoroethenoxy)octane
• PubChem CID: 19837350
• Molecular Formula: C10F20O
• Molecular Weight: 516.07 g/mol
• Exact Mass: 515.96
• IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-(1,2,2-trifluoroethenoxy)octane
• SMILES: FC(F)=C(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C10F20O/c11-1(12)2(13)31-10(29,30)8(24,25)6(20,21)4(16,17)3(14,15)5(18,19)7(22,23)9(26,27)28
• InChIKey: JJYLIBIKYWFDGU-UHFFFAOYSA-N
• XLogP: 7.01
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.07
LogP ≤ 5	7.01
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 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-(1,2,2-trifluoroethenoxy)octane?

The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-(1,2,2-trifluoroethenoxy)octane (CID 19837350) is 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-(1,2,2-trifluoroethenoxy)octane.

What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-(1,2,2-trifluoroethenoxy)octane?

The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-(1,2,2-trifluoroethenoxy)octane is FC(F)=C(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-(1,2,2-trifluoroethenoxy)octane?

The InChIKey is JJYLIBIKYWFDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F20O/c11-1(12)2(13)31-10(29,30)8(24,25)6(20,21)4(16,17)3(14,15)5(18,19)7(22,23)9(26,27)28.

What are the key properties of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-(1,2,2-trifluoroethenoxy)octane?

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-(1,2,2-trifluoroethenoxy)octane has a molecular weight of 516.07 g/mol, XLogP of 7.01, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-(1,2,2-trifluoroethenoxy)octane is sourced from PubChem (CID 19837350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).