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

C9F12O4 — CID 58017921

IUPAC2-(difluoromethylidene)-4-[[2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-yl]-difluoromethyl]-4,5,5-trifluoro-1,3-dioxolane
SMILESFC(F)=C1OC(F)(F)C(F)(C(F)(F)C2(F)OC(=C(F)F)OC2(F)F)O1
InChIInChI=1S/C9F12O4/c10-1(11)3-22-6(16,8(18,19)24-3)5(14,15)7(17)9(20,21)25-4(23-7)2(12)13
InChIKeyFAAMAKFNPSUZSF-UHFFFAOYSA-N
MW400.07 g/mol
LogP4.36
Rot. Bonds2

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

2-(difluoromethylidene)-4-[[2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-yl]-difluoromethyl]-4,5,5-trifluoro-1,3-dioxolane (PubChem CID 58017921) has the molecular formula C9F12O4 and a molecular weight of 400.07 g/mol. Its IUPAC name is 2-(difluoromethylidene)-4-[[2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-yl]-difluoromethyl]-4,5,5-trifluoro-1,3-dioxolane.

Molecular Properties

Compound Name2-(difluoromethylidene)-4-[[2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-yl]-difluoromethyl]-4,5,5-trifluoro-1,3-dioxolane
PubChem CID58017921
Molecular FormulaC9F12O4
Molecular Weight400.07 g/mol
Exact Mass399.96
IUPAC Name2-(difluoromethylidene)-4-[[2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-yl]-difluoromethyl]-4,5,5-trifluoro-1,3-dioxolane
SMILESFC(F)=C1OC(F)(F)C(F)(C(F)(F)C2(F)OC(=C(F)F)OC2(F)F)O1
InChIInChI=1S/C9F12O4/c10-1(11)3-22-6(16,8(18,19)24-3)5(14,15)7(17)9(20,21)25-4(23-7)2(12)13
InChIKeyFAAMAKFNPSUZSF-UHFFFAOYSA-N
XLogP4.36
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.07
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(difluoromethylidene)-4-[[2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-yl]-difluoromethyl]-4,5,5-trifluoro-1,3-dioxolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylidene)-4-[[2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-yl]-difluoromethyl]-4,5,5-trifluoro-1,3-dioxolane?
The IUPAC name of 2-(difluoromethylidene)-4-[[2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-yl]-difluoromethyl]-4,5,5-trifluoro-1,3-dioxolane (CID 58017921) is 2-(difluoromethylidene)-4-[[2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-yl]-difluoromethyl]-4,5,5-trifluoro-1,3-dioxolane.
What is the SMILES notation for 2-(difluoromethylidene)-4-[[2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-yl]-difluoromethyl]-4,5,5-trifluoro-1,3-dioxolane?
The canonical SMILES for 2-(difluoromethylidene)-4-[[2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-yl]-difluoromethyl]-4,5,5-trifluoro-1,3-dioxolane is FC(F)=C1OC(F)(F)C(F)(C(F)(F)C2(F)OC(=C(F)F)OC2(F)F)O1.
What is the InChIKey of 2-(difluoromethylidene)-4-[[2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-yl]-difluoromethyl]-4,5,5-trifluoro-1,3-dioxolane?
The InChIKey is FAAMAKFNPSUZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9F12O4/c10-1(11)3-22-6(16,8(18,19)24-3)5(14,15)7(17)9(20,21)25-4(23-7)2(12)13.
What are the key properties of 2-(difluoromethylidene)-4-[[2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-yl]-difluoromethyl]-4,5,5-trifluoro-1,3-dioxolane?
2-(difluoromethylidene)-4-[[2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-yl]-difluoromethyl]-4,5,5-trifluoro-1,3-dioxolane has a molecular weight of 400.07 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylidene)-4-[[2-(difluoromethylidene)-4,5,5-trifluoro-1,3-dioxolan-4-yl]-difluoromethyl]-4,5,5-trifluoro-1,3-dioxolane is sourced from PubChem (CID 58017921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).