1,3-dioxolan-2-one;4-ethenyl-1,3-dioxolan-2-one;hydrofluoride

C8H11FO6 — CID 175258508

IUPAC1,3-dioxolan-2-one;4-ethenyl-1,3-dioxolan-2-one;hydrofluoride
SMILESC=CC1COC(=O)O1.F.O=C1OCCO1
InChIInChI=1S/C5H6O3.C3H4O3.FH/c1-2-4-3-7-5(6)8-4;4-3-5-1-2-6-3;/h2,4H,1,3H2;1-2H2;1H
InChIKeyXGWZOVYDAMPSBV-UHFFFAOYSA-N
MW222.17 g/mol
LogP1.01
Rot. Bonds1

About 1,3-dioxolan-2-one;4-ethenyl-1,3-dioxolan-2-one;hydrofluoride

1,3-dioxolan-2-one;4-ethenyl-1,3-dioxolan-2-one;hydrofluoride (PubChem CID 175258508) has the molecular formula C8H11FO6 and a molecular weight of 222.17 g/mol. Its IUPAC name is 1,3-dioxolan-2-one;4-ethenyl-1,3-dioxolan-2-one;hydrofluoride.

Molecular Properties

Compound Name1,3-dioxolan-2-one;4-ethenyl-1,3-dioxolan-2-one;hydrofluoride
PubChem CID175258508
Molecular FormulaC8H11FO6
Molecular Weight222.17 g/mol
Exact Mass222.05
IUPAC Name1,3-dioxolan-2-one;4-ethenyl-1,3-dioxolan-2-one;hydrofluoride
SMILESC=CC1COC(=O)O1.F.O=C1OCCO1
InChIInChI=1S/C5H6O3.C3H4O3.FH/c1-2-4-3-7-5(6)8-4;4-3-5-1-2-6-3;/h2,4H,1,3H2;1-2H2;1H
InChIKeyXGWZOVYDAMPSBV-UHFFFAOYSA-N
XLogP1.01
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 1,3-dioxolan-2-one;4-ethenyl-1,3-dioxolan-2-one;hydrofluoride?
The IUPAC name of 1,3-dioxolan-2-one;4-ethenyl-1,3-dioxolan-2-one;hydrofluoride (CID 175258508) is 1,3-dioxolan-2-one;4-ethenyl-1,3-dioxolan-2-one;hydrofluoride.
What is the SMILES notation for 1,3-dioxolan-2-one;4-ethenyl-1,3-dioxolan-2-one;hydrofluoride?
The canonical SMILES for 1,3-dioxolan-2-one;4-ethenyl-1,3-dioxolan-2-one;hydrofluoride is C=CC1COC(=O)O1.F.O=C1OCCO1.
What is the InChIKey of 1,3-dioxolan-2-one;4-ethenyl-1,3-dioxolan-2-one;hydrofluoride?
The InChIKey is XGWZOVYDAMPSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O3.C3H4O3.FH/c1-2-4-3-7-5(6)8-4;4-3-5-1-2-6-3;/h2,4H,1,3H2;1-2H2;1H.
What are the key properties of 1,3-dioxolan-2-one;4-ethenyl-1,3-dioxolan-2-one;hydrofluoride?
1,3-dioxolan-2-one;4-ethenyl-1,3-dioxolan-2-one;hydrofluoride has a molecular weight of 222.17 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxolan-2-one;4-ethenyl-1,3-dioxolan-2-one;hydrofluoride is sourced from PubChem (CID 175258508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).