1,1,2,2,3,3,4,4-octafluoro-5-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]pentane

C10H4F18O2 — CID 134451384

About 1,1,2,2,3,3,4,4-octafluoro-5-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]pentane

1,1,2,2,3,3,4,4-octafluoro-5-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]pentane (PubChem CID 134451384) has the molecular formula C10H4F18O2 and a molecular weight of 498.10 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4-octafluoro-5-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]pentane.

Molecular Properties

• Compound Name: 1,1,2,2,3,3,4,4-octafluoro-5-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]pentane
• PubChem CID: 134451384
• Molecular Formula: C10H4F18O2
• Molecular Weight: 498.10 g/mol
• Exact Mass: 497.99
• IUPAC Name: 1,1,2,2,3,3,4,4-octafluoro-5-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]pentane
• SMILES: FC(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)OCC(F)(F)C(F)(F)C(F)(F)C(F)F
• InChI: InChI=1S/C10H4F18O2/c11-2(12)5(16,17)7(20,21)4(14,15)1-29-6(18,19)3(13)30-10(27,28)8(22,23)9(24,25)26/h2-3H,1H2
• InChIKey: HWVAZCULRUGPCV-UHFFFAOYSA-N
• XLogP: 5.87
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.10
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-5-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]pentane?

The IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-5-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]pentane (CID 134451384) is 1,1,2,2,3,3,4,4-octafluoro-5-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]pentane.

What is the SMILES notation for 1,1,2,2,3,3,4,4-octafluoro-5-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]pentane?

The canonical SMILES for 1,1,2,2,3,3,4,4-octafluoro-5-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]pentane is FC(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)OCC(F)(F)C(F)(F)C(F)(F)C(F)F.

What is the InChIKey of 1,1,2,2,3,3,4,4-octafluoro-5-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]pentane?

The InChIKey is HWVAZCULRUGPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F18O2/c11-2(12)5(16,17)7(20,21)4(14,15)1-29-6(18,19)3(13)30-10(27,28)8(22,23)9(24,25)26/h2-3H,1H2.

What are the key properties of 1,1,2,2,3,3,4,4-octafluoro-5-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]pentane?

1,1,2,2,3,3,4,4-octafluoro-5-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]pentane has a molecular weight of 498.10 g/mol, XLogP of 5.87, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,2,2,3,3,4,4-octafluoro-5-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]pentane is sourced from PubChem (CID 134451384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).