zinc;1-butyl-3-methyl-2H-imidazole;ditetrafluoroborate

C8H16B2F8N2Zn — CID 175542670

IUPACzinc;1-butyl-3-methyl-2H-imidazole;ditetrafluoroborate
SMILESCCCCN1C=CN(C)C1.F[B-](F)(F)F.F[B-](F)(F)F.[Zn+2]
InChIInChI=1S/C8H16N2.2BF4.Zn/c1-3-4-5-10-7-6-9(2)8-10;2*2-1(3,4)5;/h6-7H,3-5,8H2,1-2H3;;;/q;2*-1;+2
InChIKeyZFKILCAUOOIGNV-UHFFFAOYSA-N
MW379.23 g/mol
LogP4.06
Rot. Bonds3

About zinc;1-butyl-3-methyl-2H-imidazole;ditetrafluoroborate

zinc;1-butyl-3-methyl-2H-imidazole;ditetrafluoroborate (PubChem CID 175542670) has the molecular formula C8H16B2F8N2Zn and a molecular weight of 379.23 g/mol. Its IUPAC name is zinc;1-butyl-3-methyl-2H-imidazole;ditetrafluoroborate.

Molecular Properties

Compound Namezinc;1-butyl-3-methyl-2H-imidazole;ditetrafluoroborate
PubChem CID175542670
Molecular FormulaC8H16B2F8N2Zn
Molecular Weight379.23 g/mol
Exact Mass378.07
IUPAC Namezinc;1-butyl-3-methyl-2H-imidazole;ditetrafluoroborate
SMILESCCCCN1C=CN(C)C1.F[B-](F)(F)F.F[B-](F)(F)F.[Zn+2]
InChIInChI=1S/C8H16N2.2BF4.Zn/c1-3-4-5-10-7-6-9(2)8-10;2*2-1(3,4)5;/h6-7H,3-5,8H2,1-2H3;;;/q;2*-1;+2
InChIKeyZFKILCAUOOIGNV-UHFFFAOYSA-N
XLogP4.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.23
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-hexadecyl-3-methyl-2H-imidazole tetrafluoroborate
CID 159038407
1-butyl-3-methyl-2H-imidazole
CID 10265934
1-butyl-3-methyl-2H-imidazole;phosphoric acid;tetrafluoroborate
CID 175710160
1-butyl-3-methyl-2H-imidazole;molybdenum
CID 174105929
tripotassium;1-butyl-3-methyl-2H-imidazole;hydride
CID 174886963
1-butyl-3-methyl-2H-imidazole;phosphane;hexahydrofluoride
CID 173166047
1-butyl-3-methyl-2H-imidazole;hydron;hexafluorophosphate
CID 174451662
aluminum;1-butyl-3-methyl-2H-imidazole;trichloride;hydrochloride
CID 172848443
CID 174105864
CID 174105864
1-butyl-3-methyl-2H-imidazole;phosphorous acid
CID 174659773
1-butyl-3-methyl-2H-imidazole;dichlorocopper;hexafluorophosphate
CID 175115847
CID 175550645
CID 175550645

Frequently Asked Questions

What is the IUPAC name of zinc;1-butyl-3-methyl-2H-imidazole;ditetrafluoroborate?
The IUPAC name of zinc;1-butyl-3-methyl-2H-imidazole;ditetrafluoroborate (CID 175542670) is zinc;1-butyl-3-methyl-2H-imidazole;ditetrafluoroborate.
What is the SMILES notation for zinc;1-butyl-3-methyl-2H-imidazole;ditetrafluoroborate?
The canonical SMILES for zinc;1-butyl-3-methyl-2H-imidazole;ditetrafluoroborate is CCCCN1C=CN(C)C1.F[B-](F)(F)F.F[B-](F)(F)F.[Zn+2].
What is the InChIKey of zinc;1-butyl-3-methyl-2H-imidazole;ditetrafluoroborate?
The InChIKey is ZFKILCAUOOIGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.2BF4.Zn/c1-3-4-5-10-7-6-9(2)8-10;2*2-1(3,4)5;/h6-7H,3-5,8H2,1-2H3;;;/q;2*-1;+2.
What are the key properties of zinc;1-butyl-3-methyl-2H-imidazole;ditetrafluoroborate?
zinc;1-butyl-3-methyl-2H-imidazole;ditetrafluoroborate has a molecular weight of 379.23 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;1-butyl-3-methyl-2H-imidazole;ditetrafluoroborate is sourced from PubChem (CID 175542670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).