4-(2,2-difluoroethenoxy)-2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane

C6H2F8O4 — CID 54214520

IUPAC4-(2,2-difluoroethenoxy)-2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane
SMILESFC(F)=COC1(F)OC(F)(F)OC1OC(F)(F)F
InChIInChI=1S/C6H2F8O4/c7-2(8)1-15-4(9)3(16-5(10,11)12)17-6(13,14)18-4/h1,3H
InChIKeyPYFHSGNDJBPOGE-UHFFFAOYSA-N
MW290.06 g/mol
LogP2.82
Rot. Bonds3

About 4-(2,2-difluoroethenoxy)-2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane

4-(2,2-difluoroethenoxy)-2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane (PubChem CID 54214520) has the molecular formula C6H2F8O4 and a molecular weight of 290.06 g/mol. Its IUPAC name is 4-(2,2-difluoroethenoxy)-2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane.

Molecular Properties

Compound Name4-(2,2-difluoroethenoxy)-2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane
PubChem CID54214520
Molecular FormulaC6H2F8O4
Molecular Weight290.06 g/mol
Exact Mass289.98
IUPAC Name4-(2,2-difluoroethenoxy)-2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane
SMILESFC(F)=COC1(F)OC(F)(F)OC1OC(F)(F)F
InChIInChI=1S/C6H2F8O4/c7-2(8)1-15-4(9)3(16-5(10,11)12)17-6(13,14)18-4/h1,3H
InChIKeyPYFHSGNDJBPOGE-UHFFFAOYSA-N
XLogP2.82
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.06
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethenoxy)-2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane?
The IUPAC name of 4-(2,2-difluoroethenoxy)-2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane (CID 54214520) is 4-(2,2-difluoroethenoxy)-2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane.
What is the SMILES notation for 4-(2,2-difluoroethenoxy)-2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane?
The canonical SMILES for 4-(2,2-difluoroethenoxy)-2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane is FC(F)=COC1(F)OC(F)(F)OC1OC(F)(F)F.
What is the InChIKey of 4-(2,2-difluoroethenoxy)-2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane?
The InChIKey is PYFHSGNDJBPOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F8O4/c7-2(8)1-15-4(9)3(16-5(10,11)12)17-6(13,14)18-4/h1,3H.
What are the key properties of 4-(2,2-difluoroethenoxy)-2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane?
4-(2,2-difluoroethenoxy)-2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane has a molecular weight of 290.06 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethenoxy)-2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane is sourced from PubChem (CID 54214520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).