2-(difluoromethylidene)-4-fluoro-4-(1,2,2,3,3-pentafluoropropyl)-1,3-dioxolane

C7H4F8O2 — CID 58122667

IUPAC2-(difluoromethylidene)-4-fluoro-4-(1,2,2,3,3-pentafluoropropyl)-1,3-dioxolane
SMILESFC(F)=C1OCC(F)(C(F)C(F)(F)C(F)F)O1
InChIInChI=1S/C7H4F8O2/c8-2(9)3-16-1-6(13,17-3)4(10)7(14,15)5(11)12/h4-5H,1H2
InChIKeyZNZUYESDOXENCB-UHFFFAOYSA-N
MW272.09 g/mol
LogP3.00
Rot. Bonds3

About 2-(difluoromethylidene)-4-fluoro-4-(1,2,2,3,3-pentafluoropropyl)-1,3-dioxolane

2-(difluoromethylidene)-4-fluoro-4-(1,2,2,3,3-pentafluoropropyl)-1,3-dioxolane (PubChem CID 58122667) has the molecular formula C7H4F8O2 and a molecular weight of 272.09 g/mol. Its IUPAC name is 2-(difluoromethylidene)-4-fluoro-4-(1,2,2,3,3-pentafluoropropyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(difluoromethylidene)-4-fluoro-4-(1,2,2,3,3-pentafluoropropyl)-1,3-dioxolane
PubChem CID58122667
Molecular FormulaC7H4F8O2
Molecular Weight272.09 g/mol
Exact Mass272.01
IUPAC Name2-(difluoromethylidene)-4-fluoro-4-(1,2,2,3,3-pentafluoropropyl)-1,3-dioxolane
SMILESFC(F)=C1OCC(F)(C(F)C(F)(F)C(F)F)O1
InChIInChI=1S/C7H4F8O2/c8-2(9)3-16-1-6(13,17-3)4(10)7(14,15)5(11)12/h4-5H,1H2
InChIKeyZNZUYESDOXENCB-UHFFFAOYSA-N
XLogP3.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 53.00
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-(1,2,2,3,3-pentafluoropropyl)-1,3-dioxolane?
The IUPAC name of 2-(difluoromethylidene)-4-fluoro-4-(1,2,2,3,3-pentafluoropropyl)-1,3-dioxolane (CID 58122667) is 2-(difluoromethylidene)-4-fluoro-4-(1,2,2,3,3-pentafluoropropyl)-1,3-dioxolane.
What is the SMILES notation for 2-(difluoromethylidene)-4-fluoro-4-(1,2,2,3,3-pentafluoropropyl)-1,3-dioxolane?
The canonical SMILES for 2-(difluoromethylidene)-4-fluoro-4-(1,2,2,3,3-pentafluoropropyl)-1,3-dioxolane is FC(F)=C1OCC(F)(C(F)C(F)(F)C(F)F)O1.
What is the InChIKey of 2-(difluoromethylidene)-4-fluoro-4-(1,2,2,3,3-pentafluoropropyl)-1,3-dioxolane?
The InChIKey is ZNZUYESDOXENCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F8O2/c8-2(9)3-16-1-6(13,17-3)4(10)7(14,15)5(11)12/h4-5H,1H2.
What are the key properties of 2-(difluoromethylidene)-4-fluoro-4-(1,2,2,3,3-pentafluoropropyl)-1,3-dioxolane?
2-(difluoromethylidene)-4-fluoro-4-(1,2,2,3,3-pentafluoropropyl)-1,3-dioxolane has a molecular weight of 272.09 g/mol, XLogP of 3.00, 3 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-(1,2,2,3,3-pentafluoropropyl)-1,3-dioxolane is sourced from PubChem (CID 58122667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).