1-butyl-3-methyl-2H-imidazole;dichlorocopper;hexafluorophosphate

C8H16Cl2CuF6N2P- — CID 175115847

IUPAC1-butyl-3-methyl-2H-imidazole;dichlorocopper;hexafluorophosphate
SMILESCCCCN1C=CN(C)C1.Cl[Cu]Cl.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C8H16N2.2ClH.Cu.F6P/c1-3-4-5-10-7-6-9(2)8-10;;;;1-7(2,3,4,5)6/h6-7H,3-5,8H2,1-2H3;2*1H;;/q;;;+2;-1/p-2
InChIKeyYIFDEQIENXLFGE-UHFFFAOYSA-L
MW419.64 g/mol
LogP6.22
Rot. Bonds3

About 1-butyl-3-methyl-2H-imidazole;dichlorocopper;hexafluorophosphate

1-butyl-3-methyl-2H-imidazole;dichlorocopper;hexafluorophosphate (PubChem CID 175115847) has the molecular formula C8H16Cl2CuF6N2P- and a molecular weight of 419.64 g/mol. Its IUPAC name is 1-butyl-3-methyl-2H-imidazole;dichlorocopper;hexafluorophosphate.

Molecular Properties

Compound Name1-butyl-3-methyl-2H-imidazole;dichlorocopper;hexafluorophosphate
PubChem CID175115847
Molecular FormulaC8H16Cl2CuF6N2P-
Molecular Weight419.64 g/mol
Exact Mass417.96
IUPAC Name1-butyl-3-methyl-2H-imidazole;dichlorocopper;hexafluorophosphate
SMILESCCCCN1C=CN(C)C1.Cl[Cu]Cl.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C8H16N2.2ClH.Cu.F6P/c1-3-4-5-10-7-6-9(2)8-10;;;;1-7(2,3,4,5)6/h6-7H,3-5,8H2,1-2H3;2*1H;;/q;;;+2;-1/p-2
InChIKeyYIFDEQIENXLFGE-UHFFFAOYSA-L
XLogP6.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.64
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-methyl-2H-imidazole;hydron;hexafluorophosphate
CID 174451662
zinc;1-butyl-3-methyl-2H-imidazole;ditetrafluoroborate
CID 175542670
1-butyl-3-methyl-2H-imidazole
CID 10265934
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
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-hexadecyl-3-methyl-2H-imidazole tetrafluoroborate
CID 159038407
CID 175550645
CID 175550645
fluoromethane;1-hexyl-3-methyl-2H-imidazole
CID 174715359

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methyl-2H-imidazole;dichlorocopper;hexafluorophosphate?
The IUPAC name of 1-butyl-3-methyl-2H-imidazole;dichlorocopper;hexafluorophosphate (CID 175115847) is 1-butyl-3-methyl-2H-imidazole;dichlorocopper;hexafluorophosphate.
What is the SMILES notation for 1-butyl-3-methyl-2H-imidazole;dichlorocopper;hexafluorophosphate?
The canonical SMILES for 1-butyl-3-methyl-2H-imidazole;dichlorocopper;hexafluorophosphate is CCCCN1C=CN(C)C1.Cl[Cu]Cl.F[P-](F)(F)(F)(F)F.
What is the InChIKey of 1-butyl-3-methyl-2H-imidazole;dichlorocopper;hexafluorophosphate?
The InChIKey is YIFDEQIENXLFGE-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H16N2.2ClH.Cu.F6P/c1-3-4-5-10-7-6-9(2)8-10;;;;1-7(2,3,4,5)6/h6-7H,3-5,8H2,1-2H3;2*1H;;/q;;;+2;-1/p-2.
What are the key properties of 1-butyl-3-methyl-2H-imidazole;dichlorocopper;hexafluorophosphate?
1-butyl-3-methyl-2H-imidazole;dichlorocopper;hexafluorophosphate has a molecular weight of 419.64 g/mol, XLogP of 6.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methyl-2H-imidazole;dichlorocopper;hexafluorophosphate is sourced from PubChem (CID 175115847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).