1,1,2,2,3,3,4,4-octafluoro-1-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]pentane

C11H3F21O2 — CID 173336880

About 1,1,2,2,3,3,4,4-octafluoro-1-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]pentane

1,1,2,2,3,3,4,4-octafluoro-1-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]pentane (PubChem CID 173336880) has the molecular formula C11H3F21O2 and a molecular weight of 566.10 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4-octafluoro-1-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]pentane.

Molecular Properties

• Compound Name: 1,1,2,2,3,3,4,4-octafluoro-1-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]pentane
• PubChem CID: 173336880
• Molecular Formula: C11H3F21O2
• Molecular Weight: 566.10 g/mol
• Exact Mass: 565.98
• IUPAC Name: 1,1,2,2,3,3,4,4-octafluoro-1-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]pentane
• SMILES: CC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C11H3F21O2/c1-2(12,13)3(14,15)5(18,19)8(25,26)33-10(29,30)11(31,32)34-9(27,28)6(20,21)4(16,17)7(22,23)24/h1H3
• InChIKey: OUTSZUHPWXGGMW-UHFFFAOYSA-N
• XLogP: 7.15
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.10
LogP ≤ 5	7.15
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-1-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]pentane?

The IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-1-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]pentane (CID 173336880) is 1,1,2,2,3,3,4,4-octafluoro-1-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]pentane.

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

The canonical SMILES for 1,1,2,2,3,3,4,4-octafluoro-1-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]pentane is CC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of 1,1,2,2,3,3,4,4-octafluoro-1-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]pentane?

The InChIKey is OUTSZUHPWXGGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H3F21O2/c1-2(12,13)3(14,15)5(18,19)8(25,26)33-10(29,30)11(31,32)34-9(27,28)6(20,21)4(16,17)7(22,23)24/h1H3.

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

1,1,2,2,3,3,4,4-octafluoro-1-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]pentane has a molecular weight of 566.10 g/mol, XLogP of 7.15, 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-1-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]pentane is sourced from PubChem (CID 173336880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).