1,2-dimethylimidazole;trifluoroborane

C5H8BF3N2 — CID 171040969

IUPAC1,2-dimethylimidazole;trifluoroborane
SMILESCc1nccn1C.FB(F)F
InChIInChI=1S/C5H8N2.BF3/c1-5-6-3-4-7(5)2;2-1(3)4/h3-4H,1-2H3;
InChIKeyHUNVUFFQUSISSQ-UHFFFAOYSA-N
MW163.94 g/mol
LogP1.61
Rot. Bonds

About 1,2-dimethylimidazole;trifluoroborane

1,2-dimethylimidazole;trifluoroborane (PubChem CID 171040969) has the molecular formula C5H8BF3N2 and a molecular weight of 163.94 g/mol. Its IUPAC name is 1,2-dimethylimidazole;trifluoroborane.

Molecular Properties

Compound Name1,2-dimethylimidazole;trifluoroborane
PubChem CID171040969
Molecular FormulaC5H8BF3N2
Molecular Weight163.94 g/mol
Exact Mass164.07
IUPAC Name1,2-dimethylimidazole;trifluoroborane
SMILESCc1nccn1C.FB(F)F
InChIInChI=1S/C5H8N2.BF3/c1-5-6-3-4-7(5)2;2-1(3)4/h3-4H,1-2H3;
InChIKeyHUNVUFFQUSISSQ-UHFFFAOYSA-N
XLogP1.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.94
LogP ≤ 51.61
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 1,2-dimethylimidazole;trifluoroborane?
The IUPAC name of 1,2-dimethylimidazole;trifluoroborane (CID 171040969) is 1,2-dimethylimidazole;trifluoroborane.
What is the SMILES notation for 1,2-dimethylimidazole;trifluoroborane?
The canonical SMILES for 1,2-dimethylimidazole;trifluoroborane is Cc1nccn1C.FB(F)F.
What is the InChIKey of 1,2-dimethylimidazole;trifluoroborane?
The InChIKey is HUNVUFFQUSISSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.BF3/c1-5-6-3-4-7(5)2;2-1(3)4/h3-4H,1-2H3;.
What are the key properties of 1,2-dimethylimidazole;trifluoroborane?
1,2-dimethylimidazole;trifluoroborane has a molecular weight of 163.94 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylimidazole;trifluoroborane is sourced from PubChem (CID 171040969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).