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

C8F14O2 — CID 23085484

IUPAC2-(difluoromethylidene)-4,4,5-trifluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3-dioxolane
SMILESFC(F)=C1OC(F)(F)C(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C8F14O2/c9-1(10)2-23-6(17,8(21,22)24-2)4(13,14)3(11,12)5(15,16)7(18,19)20
InChIKeyJFAPTKLVUNAXLY-UHFFFAOYSA-N
MW394.06 g/mol
LogP4.83
Rot. Bonds3

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

2-(difluoromethylidene)-4,4,5-trifluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3-dioxolane (PubChem CID 23085484) has the molecular formula C8F14O2 and a molecular weight of 394.06 g/mol. Its IUPAC name is 2-(difluoromethylidene)-4,4,5-trifluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(difluoromethylidene)-4,4,5-trifluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3-dioxolane
PubChem CID23085484
Molecular FormulaC8F14O2
Molecular Weight394.06 g/mol
Exact Mass393.97
IUPAC Name2-(difluoromethylidene)-4,4,5-trifluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3-dioxolane
SMILESFC(F)=C1OC(F)(F)C(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C8F14O2/c9-1(10)2-23-6(17,8(21,22)24-2)4(13,14)3(11,12)5(15,16)7(18,19)20
InChIKeyJFAPTKLVUNAXLY-UHFFFAOYSA-N
XLogP4.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.06
LogP ≤ 54.83
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-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3-dioxolane?
The IUPAC name of 2-(difluoromethylidene)-4,4,5-trifluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3-dioxolane (CID 23085484) is 2-(difluoromethylidene)-4,4,5-trifluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3-dioxolane.
What is the SMILES notation for 2-(difluoromethylidene)-4,4,5-trifluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3-dioxolane?
The canonical SMILES for 2-(difluoromethylidene)-4,4,5-trifluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3-dioxolane is FC(F)=C1OC(F)(F)C(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1.
What is the InChIKey of 2-(difluoromethylidene)-4,4,5-trifluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3-dioxolane?
The InChIKey is JFAPTKLVUNAXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F14O2/c9-1(10)2-23-6(17,8(21,22)24-2)4(13,14)3(11,12)5(15,16)7(18,19)20.
What are the key properties of 2-(difluoromethylidene)-4,4,5-trifluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3-dioxolane?
2-(difluoromethylidene)-4,4,5-trifluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3-dioxolane has a molecular weight of 394.06 g/mol, XLogP of 4.83, 3 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-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1,3-dioxolane is sourced from PubChem (CID 23085484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).