2-(3-ethenylimidazol-1-ium-1-yl)ethanol tetrafluoroborate

C7H11BF4N2O — CID 141459448

IUPAC2-(3-ethenylimidazol-1-ium-1-yl)ethanol tetrafluoroborate
SMILESC=Cn1cc[n+](CCO)c1.F[B-](F)(F)F
InChIInChI=1S/C7H11N2O.BF4/c1-2-8-3-4-9(7-8)5-6-10;2-1(3,4)5/h2-4,7,10H,1,5-6H2;/q+1;-1
InChIKeyWDWVUSAKOJLYJF-UHFFFAOYSA-N
MW225.98 g/mol
LogP1.17
Rot. Bonds3

About 2-(3-ethenylimidazol-1-ium-1-yl)ethanol tetrafluoroborate

2-(3-ethenylimidazol-1-ium-1-yl)ethanol tetrafluoroborate (PubChem CID 141459448) has the molecular formula C7H11BF4N2O and a molecular weight of 225.98 g/mol. Its IUPAC name is 2-(3-ethenylimidazol-1-ium-1-yl)ethanol tetrafluoroborate.

Molecular Properties

Compound Name2-(3-ethenylimidazol-1-ium-1-yl)ethanol tetrafluoroborate
PubChem CID141459448
Molecular FormulaC7H11BF4N2O
Molecular Weight225.98 g/mol
Exact Mass226.09
IUPAC Name2-(3-ethenylimidazol-1-ium-1-yl)ethanol tetrafluoroborate
SMILESC=Cn1cc[n+](CCO)c1.F[B-](F)(F)F
InChIInChI=1S/C7H11N2O.BF4/c1-2-8-3-4-9(7-8)5-6-10;2-1(3,4)5/h2-4,7,10H,1,5-6H2;/q+1;-1
InChIKeyWDWVUSAKOJLYJF-UHFFFAOYSA-N
XLogP1.17
TPSA29.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.98
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenylimidazol-1-ium-1-yl)ethanol tetrafluoroborate?
The IUPAC name of 2-(3-ethenylimidazol-1-ium-1-yl)ethanol tetrafluoroborate (CID 141459448) is 2-(3-ethenylimidazol-1-ium-1-yl)ethanol tetrafluoroborate.
What is the SMILES notation for 2-(3-ethenylimidazol-1-ium-1-yl)ethanol tetrafluoroborate?
The canonical SMILES for 2-(3-ethenylimidazol-1-ium-1-yl)ethanol tetrafluoroborate is C=Cn1cc[n+](CCO)c1.F[B-](F)(F)F.
What is the InChIKey of 2-(3-ethenylimidazol-1-ium-1-yl)ethanol tetrafluoroborate?
The InChIKey is WDWVUSAKOJLYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N2O.BF4/c1-2-8-3-4-9(7-8)5-6-10;2-1(3,4)5/h2-4,7,10H,1,5-6H2;/q+1;-1.
What are the key properties of 2-(3-ethenylimidazol-1-ium-1-yl)ethanol tetrafluoroborate?
2-(3-ethenylimidazol-1-ium-1-yl)ethanol tetrafluoroborate has a molecular weight of 225.98 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenylimidazol-1-ium-1-yl)ethanol tetrafluoroborate is sourced from PubChem (CID 141459448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).