2-[(E)-1,2-difluoroethenyl]-1,4-dioxane

C6H8F2O2 — CID 23261790

IUPAC2-[(E)-1,2-difluoroethenyl]-1,4-dioxane
SMILESF/C=C(/F)C1COCCO1
InChIInChI=1S/C6H8F2O2/c7-3-5(8)6-4-9-1-2-10-6/h3,6H,1-2,4H2/b5-3+
InChIKeyJAAPXWPSBRIROJ-HWKANZROSA-N
MW150.12 g/mol
LogP1.18
Rot. Bonds1

About 2-[(E)-1,2-difluoroethenyl]-1,4-dioxane

2-[(E)-1,2-difluoroethenyl]-1,4-dioxane (PubChem CID 23261790) has the molecular formula C6H8F2O2 and a molecular weight of 150.12 g/mol. Its IUPAC name is 2-[(E)-1,2-difluoroethenyl]-1,4-dioxane.

Molecular Properties

Compound Name2-[(E)-1,2-difluoroethenyl]-1,4-dioxane
PubChem CID23261790
Molecular FormulaC6H8F2O2
Molecular Weight150.12 g/mol
Exact Mass150.05
IUPAC Name2-[(E)-1,2-difluoroethenyl]-1,4-dioxane
SMILESF/C=C(/F)C1COCCO1
InChIInChI=1S/C6H8F2O2/c7-3-5(8)6-4-9-1-2-10-6/h3,6H,1-2,4H2/b5-3+
InChIKeyJAAPXWPSBRIROJ-HWKANZROSA-N
XLogP1.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.12
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1,2-difluoroethenyl]-1,4-dioxane?
The IUPAC name of 2-[(E)-1,2-difluoroethenyl]-1,4-dioxane (CID 23261790) is 2-[(E)-1,2-difluoroethenyl]-1,4-dioxane.
What is the SMILES notation for 2-[(E)-1,2-difluoroethenyl]-1,4-dioxane?
The canonical SMILES for 2-[(E)-1,2-difluoroethenyl]-1,4-dioxane is F/C=C(/F)C1COCCO1.
What is the InChIKey of 2-[(E)-1,2-difluoroethenyl]-1,4-dioxane?
The InChIKey is JAAPXWPSBRIROJ-HWKANZROSA-N. The full InChI is InChI=1S/C6H8F2O2/c7-3-5(8)6-4-9-1-2-10-6/h3,6H,1-2,4H2/b5-3+.
What are the key properties of 2-[(E)-1,2-difluoroethenyl]-1,4-dioxane?
2-[(E)-1,2-difluoroethenyl]-1,4-dioxane has a molecular weight of 150.12 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1,2-difluoroethenyl]-1,4-dioxane is sourced from PubChem (CID 23261790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).