2-(difluoromethylidene)-4-fluoro-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,3-dioxolane

C10H2F16O2 — CID 58771227

IUPAC2-(difluoromethylidene)-4-fluoro-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,3-dioxolane
SMILESFC(F)=C1OCC(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C10H2F16O2/c11-2(12)3-27-1-4(13,28-3)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)26/h1H2
InChIKeyOANQWPFDOBGUFV-UHFFFAOYSA-N
MW458.09 g/mol
LogP5.50
Rot. Bonds5

About 2-(difluoromethylidene)-4-fluoro-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,3-dioxolane

2-(difluoromethylidene)-4-fluoro-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,3-dioxolane (PubChem CID 58771227) has the molecular formula C10H2F16O2 and a molecular weight of 458.09 g/mol. Its IUPAC name is 2-(difluoromethylidene)-4-fluoro-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(difluoromethylidene)-4-fluoro-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,3-dioxolane
PubChem CID58771227
Molecular FormulaC10H2F16O2
Molecular Weight458.09 g/mol
Exact Mass457.98
IUPAC Name2-(difluoromethylidene)-4-fluoro-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,3-dioxolane
SMILESFC(F)=C1OCC(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C10H2F16O2/c11-2(12)3-27-1-4(13,28-3)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)26/h1H2
InChIKeyOANQWPFDOBGUFV-UHFFFAOYSA-N
XLogP5.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.09
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylidene)-4-fluoro-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,3-dioxolane?
The IUPAC name of 2-(difluoromethylidene)-4-fluoro-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,3-dioxolane (CID 58771227) is 2-(difluoromethylidene)-4-fluoro-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,3-dioxolane.
What is the SMILES notation for 2-(difluoromethylidene)-4-fluoro-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,3-dioxolane?
The canonical SMILES for 2-(difluoromethylidene)-4-fluoro-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,3-dioxolane is FC(F)=C1OCC(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1.
What is the InChIKey of 2-(difluoromethylidene)-4-fluoro-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,3-dioxolane?
The InChIKey is OANQWPFDOBGUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H2F16O2/c11-2(12)3-27-1-4(13,28-3)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)26/h1H2.
What are the key properties of 2-(difluoromethylidene)-4-fluoro-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,3-dioxolane?
2-(difluoromethylidene)-4-fluoro-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,3-dioxolane has a molecular weight of 458.09 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylidene)-4-fluoro-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,3-dioxolane is sourced from PubChem (CID 58771227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).