2-ethenyl-1,1-dimethylimidazol-1-ium fluoride

C7H11FN2 — CID 70233531

IUPAC2-ethenyl-1,1-dimethylimidazol-1-ium fluoride
SMILESC=CC1=NC=C[N+]1(C)C.[F-]
InChIInChI=1S/C7H11N2.FH/c1-4-7-8-5-6-9(7,2)3;/h4-6H,1H2,2-3H3;1H/q+1;/p-1
InChIKeyMRIDYOONGQOGSL-UHFFFAOYSA-M
MW142.18 g/mol
LogP-1.86
Rot. Bonds1

About 2-ethenyl-1,1-dimethylimidazol-1-ium fluoride

2-ethenyl-1,1-dimethylimidazol-1-ium fluoride (PubChem CID 70233531) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is 2-ethenyl-1,1-dimethylimidazol-1-ium fluoride.

Molecular Properties

Compound Name2-ethenyl-1,1-dimethylimidazol-1-ium fluoride
PubChem CID70233531
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name2-ethenyl-1,1-dimethylimidazol-1-ium fluoride
SMILESC=CC1=NC=C[N+]1(C)C.[F-]
InChIInChI=1S/C7H11N2.FH/c1-4-7-8-5-6-9(7,2)3;/h4-6H,1H2,2-3H3;1H/q+1;/p-1
InChIKeyMRIDYOONGQOGSL-UHFFFAOYSA-M
XLogP-1.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 5-1.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1,1-dimethylimidazol-1-ium fluoride?
The IUPAC name of 2-ethenyl-1,1-dimethylimidazol-1-ium fluoride (CID 70233531) is 2-ethenyl-1,1-dimethylimidazol-1-ium fluoride.
What is the SMILES notation for 2-ethenyl-1,1-dimethylimidazol-1-ium fluoride?
The canonical SMILES for 2-ethenyl-1,1-dimethylimidazol-1-ium fluoride is C=CC1=NC=C[N+]1(C)C.[F-].
What is the InChIKey of 2-ethenyl-1,1-dimethylimidazol-1-ium fluoride?
The InChIKey is MRIDYOONGQOGSL-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H11N2.FH/c1-4-7-8-5-6-9(7,2)3;/h4-6H,1H2,2-3H3;1H/q+1;/p-1.
What are the key properties of 2-ethenyl-1,1-dimethylimidazol-1-ium fluoride?
2-ethenyl-1,1-dimethylimidazol-1-ium fluoride has a molecular weight of 142.18 g/mol, XLogP of -1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1,1-dimethylimidazol-1-ium fluoride is sourced from PubChem (CID 70233531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).