4-[[difluoro-[4,5,5-trifluoro-2-methoxy-2-(trifluoromethyl)-1,3-dioxolan-4-yl]methoxy]-difluoromethyl]-4,5,5-trifluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolane

C12H6F16O6 — CID 88862541

About 4-[[difluoro-[4,5,5-trifluoro-2-methoxy-2-(trifluoromethyl)-1,3-dioxolan-4-yl]methoxy]-difluoromethyl]-4,5,5-trifluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolane

4-[[difluoro-[4,5,5-trifluoro-2-methoxy-2-(trifluoromethyl)-1,3-dioxolan-4-yl]methoxy]-difluoromethyl]-4,5,5-trifluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolane (PubChem CID 88862541) has the molecular formula C12H6F16O6 and a molecular weight of 550.14 g/mol. Its IUPAC name is 4-[[difluoro-[4,5,5-trifluoro-2-methoxy-2-(trifluoromethyl)-1,3-dioxolan-4-yl]methoxy]-difluoromethyl]-4,5,5-trifluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

• Compound Name: 4-[[difluoro-[4,5,5-trifluoro-2-methoxy-2-(trifluoromethyl)-1,3-dioxolan-4-yl]methoxy]-difluoromethyl]-4,5,5-trifluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolane
• PubChem CID: 88862541
• Molecular Formula: C12H6F16O6
• Molecular Weight: 550.14 g/mol
• Exact Mass: 549.99
• IUPAC Name: 4-[[difluoro-[4,5,5-trifluoro-2-methoxy-2-(trifluoromethyl)-1,3-dioxolan-4-yl]methoxy]-difluoromethyl]-4,5,5-trifluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolane
• SMILES: COC1(C(F)(F)F)OC(F)(F)C(F)(C(F)(F)OC(F)(F)C2(F)OC(C)(C(F)(F)F)OC2(F)F)O1
• InChI: InChI=1S/C12H6F16O6/c1-3(6(15,16)17)30-4(13,8(21,22)31-3)9(23,24)33-10(25,26)5(14)11(27,28)34-12(29-2,32-5)7(18,19)20/h1-2H3
• InChIKey: SKRXUGYJXDWUEM-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.14
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[[difluoro-[4,5,5-trifluoro-2-methoxy-2-(trifluoromethyl)-1,3-dioxolan-4-yl]methoxy]-difluoromethyl]-4,5,5-trifluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolane?

The IUPAC name of 4-[[difluoro-[4,5,5-trifluoro-2-methoxy-2-(trifluoromethyl)-1,3-dioxolan-4-yl]methoxy]-difluoromethyl]-4,5,5-trifluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolane (CID 88862541) is 4-[[difluoro-[4,5,5-trifluoro-2-methoxy-2-(trifluoromethyl)-1,3-dioxolan-4-yl]methoxy]-difluoromethyl]-4,5,5-trifluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolane.

What is the SMILES notation for 4-[[difluoro-[4,5,5-trifluoro-2-methoxy-2-(trifluoromethyl)-1,3-dioxolan-4-yl]methoxy]-difluoromethyl]-4,5,5-trifluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolane?

The canonical SMILES for 4-[[difluoro-[4,5,5-trifluoro-2-methoxy-2-(trifluoromethyl)-1,3-dioxolan-4-yl]methoxy]-difluoromethyl]-4,5,5-trifluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolane is COC1(C(F)(F)F)OC(F)(F)C(F)(C(F)(F)OC(F)(F)C2(F)OC(C)(C(F)(F)F)OC2(F)F)O1.

What is the InChIKey of 4-[[difluoro-[4,5,5-trifluoro-2-methoxy-2-(trifluoromethyl)-1,3-dioxolan-4-yl]methoxy]-difluoromethyl]-4,5,5-trifluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolane?

The InChIKey is SKRXUGYJXDWUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F16O6/c1-3(6(15,16)17)30-4(13,8(21,22)31-3)9(23,24)33-10(25,26)5(14)11(27,28)34-12(29-2,32-5)7(18,19)20/h1-2H3.

What are the key properties of 4-[[difluoro-[4,5,5-trifluoro-2-methoxy-2-(trifluoromethyl)-1,3-dioxolan-4-yl]methoxy]-difluoromethyl]-4,5,5-trifluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolane?

4-[[difluoro-[4,5,5-trifluoro-2-methoxy-2-(trifluoromethyl)-1,3-dioxolan-4-yl]methoxy]-difluoromethyl]-4,5,5-trifluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 550.14 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[difluoro-[4,5,5-trifluoro-2-methoxy-2-(trifluoromethyl)-1,3-dioxolan-4-yl]methoxy]-difluoromethyl]-4,5,5-trifluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 88862541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).