3-[2,3-bis[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]propoxy]-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane

C24H26F24O8 — CID 118335290

IUPAC3-[2,3-bis[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]propoxy]-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane
SMILESCC(C)(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
InChIInChI=1S/C24H26F24O8/c1-13(2,3)49-7-6-14(4,5)50-8-10(52-16(29,30)12(26)54-20(37,38)18(33,34)22(41,42)56-24(46,47)48)9-51-15(27,28)11(25)53-19(35,36)17(31,32)21(39,40)55-23(43,44)45/h10-12H,6-9H2,1-5H3
InChIKeyGWXJUHHRINXPJI-UHFFFAOYSA-N
MW898.42 g/mol
LogP9.91
Rot. Bonds23

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-[(2-methylpropan-2-yl)oxy]butane

3-[2,3-bis[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]propoxy]-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane (PubChem CID 118335290) has the molecular formula C24H26F24O8 and a molecular weight of 898.42 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-[(2-methylpropan-2-yl)oxy]butane.

Molecular Properties

Compound Name3-[2,3-bis[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]propoxy]-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane
PubChem CID118335290
Molecular FormulaC24H26F24O8
Molecular Weight898.42 g/mol
Exact Mass898.12
IUPAC Name3-[2,3-bis[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]propoxy]-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane
SMILESCC(C)(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
InChIInChI=1S/C24H26F24O8/c1-13(2,3)49-7-6-14(4,5)50-8-10(52-16(29,30)12(26)54-20(37,38)18(33,34)22(41,42)56-24(46,47)48)9-51-15(27,28)11(25)53-19(35,36)17(31,32)21(39,40)55-23(43,44)45/h10-12H,6-9H2,1-5H3
InChIKeyGWXJUHHRINXPJI-UHFFFAOYSA-N
XLogP9.91
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500898.42
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[2,3-bis[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]propoxy]-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane with MolForge

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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-[(2-methylpropan-2-yl)oxy]butane?
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-[(2-methylpropan-2-yl)oxy]butane (CID 118335290) 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-[(2-methylpropan-2-yl)oxy]butane.
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-[(2-methylpropan-2-yl)oxy]butane?
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-[(2-methylpropan-2-yl)oxy]butane is CC(C)(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-[(2-methylpropan-2-yl)oxy]butane?
The InChIKey is GWXJUHHRINXPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F24O8/c1-13(2,3)49-7-6-14(4,5)50-8-10(52-16(29,30)12(26)54-20(37,38)18(33,34)22(41,42)56-24(46,47)48)9-51-15(27,28)11(25)53-19(35,36)17(31,32)21(39,40)55-23(43,44)45/h10-12H,6-9H2,1-5H3.
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-[(2-methylpropan-2-yl)oxy]butane?
3-[2,3-bis[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]propoxy]-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane has a molecular weight of 898.42 g/mol, XLogP of 9.91, 23 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-[(2-methylpropan-2-yl)oxy]butane is sourced from PubChem (CID 118335290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).