4,5-bis(ethenyl)-4,5-difluoro-1,3-dioxolan-2-one

C7H6F2O3 — CID 166999721

IUPAC4,5-bis(ethenyl)-4,5-difluoro-1,3-dioxolan-2-one
SMILESC=CC1(F)OC(=O)OC1(F)C=C
InChIInChI=1S/C7H6F2O3/c1-3-6(8)7(9,4-2)12-5(10)11-6/h3-4H,1-2H2
InChIKeyASPKHSHKOWTYAO-UHFFFAOYSA-N
MW176.12 g/mol
LogP1.86
Rot. Bonds2

About 4,5-bis(ethenyl)-4,5-difluoro-1,3-dioxolan-2-one

4,5-bis(ethenyl)-4,5-difluoro-1,3-dioxolan-2-one (PubChem CID 166999721) has the molecular formula C7H6F2O3 and a molecular weight of 176.12 g/mol. Its IUPAC name is 4,5-bis(ethenyl)-4,5-difluoro-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4,5-bis(ethenyl)-4,5-difluoro-1,3-dioxolan-2-one
PubChem CID166999721
Molecular FormulaC7H6F2O3
Molecular Weight176.12 g/mol
Exact Mass176.03
IUPAC Name4,5-bis(ethenyl)-4,5-difluoro-1,3-dioxolan-2-one
SMILESC=CC1(F)OC(=O)OC1(F)C=C
InChIInChI=1S/C7H6F2O3/c1-3-6(8)7(9,4-2)12-5(10)11-6/h3-4H,1-2H2
InChIKeyASPKHSHKOWTYAO-UHFFFAOYSA-N
XLogP1.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.12
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethenyl)-4,5-difluoro-1,3-dioxolan-2-one?
The IUPAC name of 4,5-bis(ethenyl)-4,5-difluoro-1,3-dioxolan-2-one (CID 166999721) is 4,5-bis(ethenyl)-4,5-difluoro-1,3-dioxolan-2-one.
What is the SMILES notation for 4,5-bis(ethenyl)-4,5-difluoro-1,3-dioxolan-2-one?
The canonical SMILES for 4,5-bis(ethenyl)-4,5-difluoro-1,3-dioxolan-2-one is C=CC1(F)OC(=O)OC1(F)C=C.
What is the InChIKey of 4,5-bis(ethenyl)-4,5-difluoro-1,3-dioxolan-2-one?
The InChIKey is ASPKHSHKOWTYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2O3/c1-3-6(8)7(9,4-2)12-5(10)11-6/h3-4H,1-2H2.
What are the key properties of 4,5-bis(ethenyl)-4,5-difluoro-1,3-dioxolan-2-one?
4,5-bis(ethenyl)-4,5-difluoro-1,3-dioxolan-2-one has a molecular weight of 176.12 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenyl)-4,5-difluoro-1,3-dioxolan-2-one is sourced from PubChem (CID 166999721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).