1,3-dimethyl-2H-imidazole hexafluorophosphate

C5H10F6N2P- — CID 158907533

IUPAC1,3-dimethyl-2H-imidazole hexafluorophosphate
SMILESCN1C=CN(C)C1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C5H10N2.F6P/c1-6-3-4-7(2)5-6;1-7(2,3,4,5)6/h3-4H,5H2,1-2H3;/q;-1
InChIKeyJGFRSJLSFOAHAK-UHFFFAOYSA-N
MW243.11 g/mol
LogP3.67
Rot. Bonds

About 1,3-dimethyl-2H-imidazole hexafluorophosphate

1,3-dimethyl-2H-imidazole hexafluorophosphate (PubChem CID 158907533) has the molecular formula C5H10F6N2P- and a molecular weight of 243.11 g/mol. Its IUPAC name is 1,3-dimethyl-2H-imidazole hexafluorophosphate.

Molecular Properties

Compound Name1,3-dimethyl-2H-imidazole hexafluorophosphate
PubChem CID158907533
Molecular FormulaC5H10F6N2P-
Molecular Weight243.11 g/mol
Exact Mass243.05
IUPAC Name1,3-dimethyl-2H-imidazole hexafluorophosphate
SMILESCN1C=CN(C)C1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C5H10N2.F6P/c1-6-3-4-7(2)5-6;1-7(2,3,4,5)6/h3-4H,5H2,1-2H3;/q;-1
InChIKeyJGFRSJLSFOAHAK-UHFFFAOYSA-N
XLogP3.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.11
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,3-dimethyl-2H-imidazole hexafluorophosphate with MolForge

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

Launch Full Analysis

Related Compounds

potassium;1-ethyl-3-methyl-2H-imidazole;hexafluorophosphate
CID 174903378
1-(difluoromethyl)-3-methyl-2H-imidazole;hydrobromide;hydrochloride
CID 175693926
1-butyl-3-methyl-2H-imidazole;dichlorocopper;hexafluorophosphate
CID 175115847
1,3-dimethyl-2H-imidazole;ethane-1,1-diol;rhodium(2+);diiodide
CID 171376624
dimethyl carbonate;1,3-dimethyl-2H-imidazole
CID 175750899
1,3-dimethyl-2H-imidazole;methyl dihydrogen phosphite
CID 175432447
3-methyl-2H-imidazol-1-amine;hydrobromide
CID 175511676
CID 136879583
CID 136879583
3-methyl-2H-imidazole-1-carboxylic acid
CID 154232993
1-methyl-3-(1,2,2-trifluoroethyl)-2H-imidazole
CID 175549515
1-(3-methyl-2H-imidazol-1-yl)ethanone;hydrochloride
CID 173453785
1-(3-methyl-2H-imidazol-1-yl)ethanone;hydrobromide
CID 174844241

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2H-imidazole hexafluorophosphate?
The IUPAC name of 1,3-dimethyl-2H-imidazole hexafluorophosphate (CID 158907533) is 1,3-dimethyl-2H-imidazole hexafluorophosphate.
What is the SMILES notation for 1,3-dimethyl-2H-imidazole hexafluorophosphate?
The canonical SMILES for 1,3-dimethyl-2H-imidazole hexafluorophosphate is CN1C=CN(C)C1.F[P-](F)(F)(F)(F)F.
What is the InChIKey of 1,3-dimethyl-2H-imidazole hexafluorophosphate?
The InChIKey is JGFRSJLSFOAHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2.F6P/c1-6-3-4-7(2)5-6;1-7(2,3,4,5)6/h3-4H,5H2,1-2H3;/q;-1.
What are the key properties of 1,3-dimethyl-2H-imidazole hexafluorophosphate?
1,3-dimethyl-2H-imidazole hexafluorophosphate has a molecular weight of 243.11 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2H-imidazole hexafluorophosphate is sourced from PubChem (CID 158907533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).