2-ethyl-1-methyl-1H-imidazol-1-ium tetrafluoroborate

C6H11BF4N2 — CID 23023232

IUPAC2-ethyl-1-methyl-1H-imidazol-1-ium tetrafluoroborate
SMILESCCC1=NC=C[NH+]1C.F[B-](F)(F)F
InChIInChI=1S/C6H10N2.BF4/c1-3-6-7-4-5-8(6)2;2-1(3,4)5/h4-5H,3H2,1-2H3;/q;-1/p+1
InChIKeyFIFQLOUEIDZYNF-UHFFFAOYSA-O
MW197.97 g/mol
LogP1.09
Rot. Bonds1

About 2-ethyl-1-methyl-1H-imidazol-1-ium tetrafluoroborate

2-ethyl-1-methyl-1H-imidazol-1-ium tetrafluoroborate (PubChem CID 23023232) has the molecular formula C6H11BF4N2 and a molecular weight of 197.97 g/mol. Its IUPAC name is 2-ethyl-1-methyl-1H-imidazol-1-ium tetrafluoroborate.

Molecular Properties

Compound Name2-ethyl-1-methyl-1H-imidazol-1-ium tetrafluoroborate
PubChem CID23023232
Molecular FormulaC6H11BF4N2
Molecular Weight197.97 g/mol
Exact Mass198.10
IUPAC Name2-ethyl-1-methyl-1H-imidazol-1-ium tetrafluoroborate
SMILESCCC1=NC=C[NH+]1C.F[B-](F)(F)F
InChIInChI=1S/C6H10N2.BF4/c1-3-6-7-4-5-8(6)2;2-1(3,4)5/h4-5H,3H2,1-2H3;/q;-1/p+1
InChIKeyFIFQLOUEIDZYNF-UHFFFAOYSA-O
XLogP1.09
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.97
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethyl-1-methyl-1H-imidazol-1-ium tetrafluoroborate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methyl-1H-imidazol-1-ium tetrafluoroborate?
The IUPAC name of 2-ethyl-1-methyl-1H-imidazol-1-ium tetrafluoroborate (CID 23023232) is 2-ethyl-1-methyl-1H-imidazol-1-ium tetrafluoroborate.
What is the SMILES notation for 2-ethyl-1-methyl-1H-imidazol-1-ium tetrafluoroborate?
The canonical SMILES for 2-ethyl-1-methyl-1H-imidazol-1-ium tetrafluoroborate is CCC1=NC=C[NH+]1C.F[B-](F)(F)F.
What is the InChIKey of 2-ethyl-1-methyl-1H-imidazol-1-ium tetrafluoroborate?
The InChIKey is FIFQLOUEIDZYNF-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H10N2.BF4/c1-3-6-7-4-5-8(6)2;2-1(3,4)5/h4-5H,3H2,1-2H3;/q;-1/p+1.
What are the key properties of 2-ethyl-1-methyl-1H-imidazol-1-ium tetrafluoroborate?
2-ethyl-1-methyl-1H-imidazol-1-ium tetrafluoroborate has a molecular weight of 197.97 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyl-1H-imidazol-1-ium tetrafluoroborate is sourced from PubChem (CID 23023232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).