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

C10H2F20O — CID 175765305

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

1,1,1,2,2,3,3,4,4,5,5,6,6,7,8,8,8-heptadecafluoro-7-(1,1,2-trifluoroethoxy)octane (PubChem CID 175765305) has the molecular formula C10H2F20O and a molecular weight of 518.09 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,6,7,8,8,8-heptadecafluoro-7-(1,1,2-trifluoroethoxy)octane.

Molecular Properties

• Compound Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,8,8,8-heptadecafluoro-7-(1,1,2-trifluoroethoxy)octane
• PubChem CID: 175765305
• Molecular Formula: C10H2F20O
• Molecular Weight: 518.09 g/mol
• Exact Mass: 517.98
• IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,8,8,8-heptadecafluoro-7-(1,1,2-trifluoroethoxy)octane
• SMILES: FCC(F)(F)OC(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C10H2F20O/c11-1-2(12,13)31-8(24,10(28,29)30)6(20,21)4(16,17)3(14,15)5(18,19)7(22,23)9(25,26)27/h1H2
• InChIKey: HPWVYYHYMUEHNB-UHFFFAOYSA-N
• XLogP: 6.53
• 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	518.09
LogP ≤ 5	6.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,8,8,8-heptadecafluoro-7-(1,1,2-trifluoroethoxy)octane?

The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,8,8,8-heptadecafluoro-7-(1,1,2-trifluoroethoxy)octane (CID 175765305) is 1,1,1,2,2,3,3,4,4,5,5,6,6,7,8,8,8-heptadecafluoro-7-(1,1,2-trifluoroethoxy)octane.

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

The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,8,8,8-heptadecafluoro-7-(1,1,2-trifluoroethoxy)octane is FCC(F)(F)OC(F)(C(F)(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 1,1,1,2,2,3,3,4,4,5,5,6,6,7,8,8,8-heptadecafluoro-7-(1,1,2-trifluoroethoxy)octane?

The InChIKey is HPWVYYHYMUEHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H2F20O/c11-1-2(12,13)31-8(24,10(28,29)30)6(20,21)4(16,17)3(14,15)5(18,19)7(22,23)9(25,26)27/h1H2.

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

1,1,1,2,2,3,3,4,4,5,5,6,6,7,8,8,8-heptadecafluoro-7-(1,1,2-trifluoroethoxy)octane has a molecular weight of 518.09 g/mol, XLogP of 6.53, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,8,8,8-heptadecafluoro-7-(1,1,2-trifluoroethoxy)octane is sourced from PubChem (CID 175765305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).