3-methyl-1-(2-methylbutan-2-yloxy)-3-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]-3-[1,1,2-trifluoro-2-(1,1,2,2-tetrafluoroethoxy)ethoxy]propoxy]butane

C22H29F17O6 — CID 123761449

About 3-methyl-1-(2-methylbutan-2-yloxy)-3-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]-3-[1,1,2-trifluoro-2-(1,1,2,2-tetrafluoroethoxy)ethoxy]propoxy]butane

3-methyl-1-(2-methylbutan-2-yloxy)-3-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]-3-[1,1,2-trifluoro-2-(1,1,2,2-tetrafluoroethoxy)ethoxy]propoxy]butane (PubChem CID 123761449) has the molecular formula C22H29F17O6 and a molecular weight of 712.43 g/mol. Its IUPAC name is 3-methyl-1-(2-methylbutan-2-yloxy)-3-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]-3-[1,1,2-trifluoro-2-(1,1,2,2-tetrafluoroethoxy)ethoxy]propoxy]butane.

Molecular Properties

• Compound Name: 3-methyl-1-(2-methylbutan-2-yloxy)-3-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]-3-[1,1,2-trifluoro-2-(1,1,2,2-tetrafluoroethoxy)ethoxy]propoxy]butane
• PubChem CID: 123761449
• Molecular Formula: C22H29F17O6
• Molecular Weight: 712.43 g/mol
• Exact Mass: 712.17
• IUPAC Name: 3-methyl-1-(2-methylbutan-2-yloxy)-3-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]-3-[1,1,2-trifluoro-2-(1,1,2,2-tetrafluoroethoxy)ethoxy]propoxy]butane
• SMILES: CCC(C)(C)OCCC(C)(C)OCC(COC(F)(F)C(F)OC(F)(F)C(F)F)OC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C22H29F17O6/c1-6-15(2,3)40-8-7-16(4,5)41-9-11(10-42-18(29,30)13(25)44-17(27,28)12(23)24)43-19(31,32)14(26)45-22(38,39)20(33,34)21(35,36)37/h11-14H,6-10H2,1-5H3
• InChIKey: HPFBPHTYZUBFEP-UHFFFAOYSA-N
• XLogP: 8.24
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 21
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	712.43
LogP ≤ 5	8.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylbutan-2-yloxy)-3-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]-3-[1,1,2-trifluoro-2-(1,1,2,2-tetrafluoroethoxy)ethoxy]propoxy]butane?

The IUPAC name of 3-methyl-1-(2-methylbutan-2-yloxy)-3-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]-3-[1,1,2-trifluoro-2-(1,1,2,2-tetrafluoroethoxy)ethoxy]propoxy]butane (CID 123761449) is 3-methyl-1-(2-methylbutan-2-yloxy)-3-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]-3-[1,1,2-trifluoro-2-(1,1,2,2-tetrafluoroethoxy)ethoxy]propoxy]butane.

What is the SMILES notation for 3-methyl-1-(2-methylbutan-2-yloxy)-3-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]-3-[1,1,2-trifluoro-2-(1,1,2,2-tetrafluoroethoxy)ethoxy]propoxy]butane?

The canonical SMILES for 3-methyl-1-(2-methylbutan-2-yloxy)-3-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]-3-[1,1,2-trifluoro-2-(1,1,2,2-tetrafluoroethoxy)ethoxy]propoxy]butane is CCC(C)(C)OCCC(C)(C)OCC(COC(F)(F)C(F)OC(F)(F)C(F)F)OC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of 3-methyl-1-(2-methylbutan-2-yloxy)-3-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]-3-[1,1,2-trifluoro-2-(1,1,2,2-tetrafluoroethoxy)ethoxy]propoxy]butane?

The InChIKey is HPFBPHTYZUBFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F17O6/c1-6-15(2,3)40-8-7-16(4,5)41-9-11(10-42-18(29,30)13(25)44-17(27,28)12(23)24)43-19(31,32)14(26)45-22(38,39)20(33,34)21(35,36)37/h11-14H,6-10H2,1-5H3.

What are the key properties of 3-methyl-1-(2-methylbutan-2-yloxy)-3-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]-3-[1,1,2-trifluoro-2-(1,1,2,2-tetrafluoroethoxy)ethoxy]propoxy]butane?

3-methyl-1-(2-methylbutan-2-yloxy)-3-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]-3-[1,1,2-trifluoro-2-(1,1,2,2-tetrafluoroethoxy)ethoxy]propoxy]butane has a molecular weight of 712.43 g/mol, XLogP of 8.24, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-1-(2-methylbutan-2-yloxy)-3-[2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]-3-[1,1,2-trifluoro-2-(1,1,2,2-tetrafluoroethoxy)ethoxy]propoxy]butane is sourced from PubChem (CID 123761449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).