1-[difluoro(1,1,2,2-tetrafluoropropoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]ethoxy]propane

C15H6F26O5 — CID 89491520

About 1-[difluoro(1,1,2,2-tetrafluoropropoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]ethoxy]propane

1-[difluoro(1,1,2,2-tetrafluoropropoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]ethoxy]propane (PubChem CID 89491520) has the molecular formula C15H6F26O5 and a molecular weight of 760.16 g/mol. Its IUPAC name is 1-[difluoro(1,1,2,2-tetrafluoropropoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]ethoxy]propane.

Molecular Properties

• Compound Name: 1-[difluoro(1,1,2,2-tetrafluoropropoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]ethoxy]propane
• PubChem CID: 89491520
• Molecular Formula: C15H6F26O5
• Molecular Weight: 760.16 g/mol
• Exact Mass: 759.98
• IUPAC Name: 1-[difluoro(1,1,2,2-tetrafluoropropoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]ethoxy]propane
• SMILES: CC(F)(F)C(F)(F)OC(F)(F)OC(F)(F)C(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(C)(F)F)C(F)(F)F
• InChI: InChI=1S/C15H6F26O5/c1-3(16,17)8(26,27)43-10(30,31)5(20,21)11(32,33)44-14(38,39)13(36,37)42-6(22,7(23,24)25)12(34,35)46-15(40,41)45-9(28,29)4(2,18)19/h1-2H3
• InChIKey: HHKCJVNQYWURID-UHFFFAOYSA-N
• XLogP: 8.94
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 16
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	760.16
LogP ≤ 5	8.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro(1,1,2,2-tetrafluoropropoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]ethoxy]propane?

The IUPAC name of 1-[difluoro(1,1,2,2-tetrafluoropropoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]ethoxy]propane (CID 89491520) is 1-[difluoro(1,1,2,2-tetrafluoropropoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]ethoxy]propane.

What is the SMILES notation for 1-[difluoro(1,1,2,2-tetrafluoropropoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]ethoxy]propane?

The canonical SMILES for 1-[difluoro(1,1,2,2-tetrafluoropropoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]ethoxy]propane is CC(F)(F)C(F)(F)OC(F)(F)OC(F)(F)C(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(C)(F)F)C(F)(F)F.

What is the InChIKey of 1-[difluoro(1,1,2,2-tetrafluoropropoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]ethoxy]propane?

The InChIKey is HHKCJVNQYWURID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6F26O5/c1-3(16,17)8(26,27)43-10(30,31)5(20,21)11(32,33)44-14(38,39)13(36,37)42-6(22,7(23,24)25)12(34,35)46-15(40,41)45-9(28,29)4(2,18)19/h1-2H3.

What are the key properties of 1-[difluoro(1,1,2,2-tetrafluoropropoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]ethoxy]propane?

1-[difluoro(1,1,2,2-tetrafluoropropoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]ethoxy]propane has a molecular weight of 760.16 g/mol, XLogP of 8.94, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[difluoro(1,1,2,2-tetrafluoropropoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]ethoxy]propane is sourced from PubChem (CID 89491520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).