1-ethyl-3-methyl-2H-imidazole;bis(trifluoroborane)

C6H12B2F6N2 — CID 175554894

IUPAC1-ethyl-3-methyl-2H-imidazole;bis(trifluoroborane)
SMILESCCN1C=CN(C)C1.FB(F)F.FB(F)F
InChIInChI=1S/C6H12N2.2BF3/c1-3-8-5-4-7(2)6-8;2*2-1(3)4/h4-5H,3,6H2,1-2H3;;
InChIKeyRNCICKQIRIZZRD-UHFFFAOYSA-N
MW247.79 g/mol
LogP2.44
Rot. Bonds1

About 1-ethyl-3-methyl-2H-imidazole;bis(trifluoroborane)

1-ethyl-3-methyl-2H-imidazole;bis(trifluoroborane) (PubChem CID 175554894) has the molecular formula C6H12B2F6N2 and a molecular weight of 247.79 g/mol. Its IUPAC name is 1-ethyl-3-methyl-2H-imidazole;bis(trifluoroborane).

Molecular Properties

Compound Name1-ethyl-3-methyl-2H-imidazole;bis(trifluoroborane)
PubChem CID175554894
Molecular FormulaC6H12B2F6N2
Molecular Weight247.79 g/mol
Exact Mass248.11
IUPAC Name1-ethyl-3-methyl-2H-imidazole;bis(trifluoroborane)
SMILESCCN1C=CN(C)C1.FB(F)F.FB(F)F
InChIInChI=1S/C6H12N2.2BF3/c1-3-8-5-4-7(2)6-8;2*2-1(3)4/h4-5H,3,6H2,1-2H3;;
InChIKeyRNCICKQIRIZZRD-UHFFFAOYSA-N
XLogP2.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.79
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-2H-imidazole;bis(trifluoroborane)?
The IUPAC name of 1-ethyl-3-methyl-2H-imidazole;bis(trifluoroborane) (CID 175554894) is 1-ethyl-3-methyl-2H-imidazole;bis(trifluoroborane).
What is the SMILES notation for 1-ethyl-3-methyl-2H-imidazole;bis(trifluoroborane)?
The canonical SMILES for 1-ethyl-3-methyl-2H-imidazole;bis(trifluoroborane) is CCN1C=CN(C)C1.FB(F)F.FB(F)F.
What is the InChIKey of 1-ethyl-3-methyl-2H-imidazole;bis(trifluoroborane)?
The InChIKey is RNCICKQIRIZZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.2BF3/c1-3-8-5-4-7(2)6-8;2*2-1(3)4/h4-5H,3,6H2,1-2H3;;.
What are the key properties of 1-ethyl-3-methyl-2H-imidazole;bis(trifluoroborane)?
1-ethyl-3-methyl-2H-imidazole;bis(trifluoroborane) has a molecular weight of 247.79 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-2H-imidazole;bis(trifluoroborane) is sourced from PubChem (CID 175554894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).