4-[[[2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-yl]-difluoromethoxy]-difluoromethyl]-2,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane

C10F16O5 — CID 89341117

About 4-[[[2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-yl]-difluoromethoxy]-difluoromethyl]-2,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane

4-[[[2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-yl]-difluoromethoxy]-difluoromethyl]-2,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane (PubChem CID 89341117) has the molecular formula C10F16O5 and a molecular weight of 504.07 g/mol. Its IUPAC name is 4-[[[2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-yl]-difluoromethoxy]-difluoromethyl]-2,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

• Compound Name: 4-[[[2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-yl]-difluoromethoxy]-difluoromethyl]-2,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane
• PubChem CID: 89341117
• Molecular Formula: C10F16O5
• Molecular Weight: 504.07 g/mol
• Exact Mass: 503.95
• IUPAC Name: 4-[[[2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-yl]-difluoromethoxy]-difluoromethyl]-2,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane
• SMILES: FC(F)=C1OC(F)(F)C(F)(C(F)(F)OC(F)(F)C2(F)OC(F)(C(F)(F)F)OC2(F)F)O1
• InChI: InChI=1S/C10F16O5/c11-1(12)2-27-3(13,6(18,19)28-2)7(20,21)30-8(22,23)4(14)9(24,25)31-10(26,29-4)5(15,16)17
• InChIKey: YWBZELDBVBMABR-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.07
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-[[[2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-yl]-difluoromethoxy]-difluoromethyl]-2,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane (CID 89341117) is 4-[[[2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-yl]-difluoromethoxy]-difluoromethyl]-2,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane.

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

The canonical SMILES for 4-[[[2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-yl]-difluoromethoxy]-difluoromethyl]-2,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane is FC(F)=C1OC(F)(F)C(F)(C(F)(F)OC(F)(F)C2(F)OC(F)(C(F)(F)F)OC2(F)F)O1.

What is the InChIKey of 4-[[[2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-yl]-difluoromethoxy]-difluoromethyl]-2,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane?

The InChIKey is YWBZELDBVBMABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F16O5/c11-1(12)2-27-3(13,6(18,19)28-2)7(20,21)30-8(22,23)4(14)9(24,25)31-10(26,29-4)5(15,16)17.

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

4-[[[2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-yl]-difluoromethoxy]-difluoromethyl]-2,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 504.07 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[[2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-yl]-difluoromethoxy]-difluoromethyl]-2,4,5,5-tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 89341117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).