3-[2,3-bis[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]propoxy]-3-methyl-1-propan-2-yloxybutane

C23H24F24O8 — CID 118335276

About 3-[2,3-bis[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]propoxy]-3-methyl-1-propan-2-yloxybutane

3-[2,3-bis[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]propoxy]-3-methyl-1-propan-2-yloxybutane (PubChem CID 118335276) has the molecular formula C23H24F24O8 and a molecular weight of 884.39 g/mol. Its IUPAC name is 3-[2,3-bis[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]propoxy]-3-methyl-1-propan-2-yloxybutane.

Molecular Properties

• Compound Name: 3-[2,3-bis[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]propoxy]-3-methyl-1-propan-2-yloxybutane
• PubChem CID: 118335276
• Molecular Formula: C23H24F24O8
• Molecular Weight: 884.39 g/mol
• Exact Mass: 884.11
• IUPAC Name: 3-[2,3-bis[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]propoxy]-3-methyl-1-propan-2-yloxybutane
• SMILES: CC(C)OCCC(C)(C)OCC(COC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)OC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F
• InChI: InChI=1S/C23H24F24O8/c1-9(2)48-6-5-13(3,4)49-7-10(51-15(28,29)12(25)53-19(36,37)17(32,33)21(40,41)55-23(45,46)47)8-50-14(26,27)11(24)52-18(34,35)16(30,31)20(38,39)54-22(42,43)44/h9-12H,5-8H2,1-4H3
• InChIKey: WKHBLUTYUQKYKL-UHFFFAOYSA-N
• XLogP: 9.52
• TPSA: 73.84 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 24
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	884.39
LogP ≤ 5	9.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2,3-bis[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]propoxy]-3-methyl-1-propan-2-yloxybutane?

The IUPAC name of 3-[2,3-bis[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]propoxy]-3-methyl-1-propan-2-yloxybutane (CID 118335276) is 3-[2,3-bis[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]propoxy]-3-methyl-1-propan-2-yloxybutane.

What is the SMILES notation for 3-[2,3-bis[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]propoxy]-3-methyl-1-propan-2-yloxybutane?

The canonical SMILES for 3-[2,3-bis[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]propoxy]-3-methyl-1-propan-2-yloxybutane is CC(C)OCCC(C)(C)OCC(COC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)OC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F.

What is the InChIKey of 3-[2,3-bis[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]propoxy]-3-methyl-1-propan-2-yloxybutane?

The InChIKey is WKHBLUTYUQKYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F24O8/c1-9(2)48-6-5-13(3,4)49-7-10(51-15(28,29)12(25)53-19(36,37)17(32,33)21(40,41)55-23(45,46)47)8-50-14(26,27)11(24)52-18(34,35)16(30,31)20(38,39)54-22(42,43)44/h9-12H,5-8H2,1-4H3.

What are the key properties of 3-[2,3-bis[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]propoxy]-3-methyl-1-propan-2-yloxybutane?

3-[2,3-bis[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]propoxy]-3-methyl-1-propan-2-yloxybutane has a molecular weight of 884.39 g/mol, XLogP of 9.52, 24 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2,3-bis[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]propoxy]-3-methyl-1-propan-2-yloxybutane is sourced from PubChem (CID 118335276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).