2-(difluoromethylidene)-4,4,5-trifluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dioxolane

C7F12O2 — CID 23085489

IUPAC2-(difluoromethylidene)-4,4,5-trifluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dioxolane
SMILESFC(F)=C1OC(F)(F)C(F)(C(F)(F)C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C7F12O2/c8-1(9)2-20-5(14,7(18,19)21-2)3(10,11)4(12,13)6(15,16)17
InChIKeyLGDVSKRIMBNGDB-UHFFFAOYSA-N
MW344.05 g/mol
LogP4.19
Rot. Bonds2

About 2-(difluoromethylidene)-4,4,5-trifluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dioxolane

2-(difluoromethylidene)-4,4,5-trifluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dioxolane (PubChem CID 23085489) has the molecular formula C7F12O2 and a molecular weight of 344.05 g/mol. Its IUPAC name is 2-(difluoromethylidene)-4,4,5-trifluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(difluoromethylidene)-4,4,5-trifluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dioxolane
PubChem CID23085489
Molecular FormulaC7F12O2
Molecular Weight344.05 g/mol
Exact Mass343.97
IUPAC Name2-(difluoromethylidene)-4,4,5-trifluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dioxolane
SMILESFC(F)=C1OC(F)(F)C(F)(C(F)(F)C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C7F12O2/c8-1(9)2-20-5(14,7(18,19)21-2)3(10,11)4(12,13)6(15,16)17
InChIKeyLGDVSKRIMBNGDB-UHFFFAOYSA-N
XLogP4.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.05
LogP ≤ 54.19
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)-4,4,5-trifluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dioxolane?
The IUPAC name of 2-(difluoromethylidene)-4,4,5-trifluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dioxolane (CID 23085489) is 2-(difluoromethylidene)-4,4,5-trifluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dioxolane.
What is the SMILES notation for 2-(difluoromethylidene)-4,4,5-trifluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dioxolane?
The canonical SMILES for 2-(difluoromethylidene)-4,4,5-trifluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dioxolane is FC(F)=C1OC(F)(F)C(F)(C(F)(F)C(F)(F)C(F)(F)F)O1.
What is the InChIKey of 2-(difluoromethylidene)-4,4,5-trifluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dioxolane?
The InChIKey is LGDVSKRIMBNGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F12O2/c8-1(9)2-20-5(14,7(18,19)21-2)3(10,11)4(12,13)6(15,16)17.
What are the key properties of 2-(difluoromethylidene)-4,4,5-trifluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dioxolane?
2-(difluoromethylidene)-4,4,5-trifluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dioxolane has a molecular weight of 344.05 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylidene)-4,4,5-trifluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dioxolane is sourced from PubChem (CID 23085489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).