2-fluoro-1,3-dimethylimidazol-1-ium;hexafluorophosphate;hydrochloride

C5H9ClF7N2P — CID 175136521

IUPAC2-fluoro-1,3-dimethylimidazol-1-ium;hexafluorophosphate;hydrochloride
SMILESCl.Cn1cc[n+](C)c1F.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C5H8FN2.ClH.F6P/c1-7-3-4-8(2)5(7)6;;1-7(2,3,4,5)6/h3-4H,1-2H3;1H;/q+1;;-1
InChIKeyLDJOQXCKFPBOKG-UHFFFAOYSA-N
MW296.55 g/mol
LogP3.79
Rot. Bonds

About 2-fluoro-1,3-dimethylimidazol-1-ium;hexafluorophosphate;hydrochloride

2-fluoro-1,3-dimethylimidazol-1-ium;hexafluorophosphate;hydrochloride (PubChem CID 175136521) has the molecular formula C5H9ClF7N2P and a molecular weight of 296.55 g/mol. Its IUPAC name is 2-fluoro-1,3-dimethylimidazol-1-ium;hexafluorophosphate;hydrochloride.

Molecular Properties

Compound Name2-fluoro-1,3-dimethylimidazol-1-ium;hexafluorophosphate;hydrochloride
PubChem CID175136521
Molecular FormulaC5H9ClF7N2P
Molecular Weight296.55 g/mol
Exact Mass296.01
IUPAC Name2-fluoro-1,3-dimethylimidazol-1-ium;hexafluorophosphate;hydrochloride
SMILESCl.Cn1cc[n+](C)c1F.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C5H8FN2.ClH.F6P/c1-7-3-4-8(2)5(7)6;;1-7(2,3,4,5)6/h3-4H,1-2H3;1H;/q+1;;-1
InChIKeyLDJOQXCKFPBOKG-UHFFFAOYSA-N
XLogP3.79
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.55
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1,2,3-trimethylimidazol-1-ium
CID 158300454
2-iodo-1,3-dimethylimidazol-1-ium
CID 12009773
2-chloro-1,3-dimethylimidazol-1-ium chloride
CID 11126651
2-ethynyl-1,3-dimethylimidazol-1-ium
CID 101471663
(1,3-dimethylimidazol-1-ium-2-yl)-sulfanylidenemethaneselenolate
CID 101083679
6,12-dimethyl-8,10-dithia-1,3-diaza-6,12-diazoniatricyclo[9.3.0.03,7]tetradeca-4,6,11,13-tetraene dihexafluorophosphate
CID 11706581
bis[(1,3-dimethylimidazol-1-ium-2-yl)oxy]-oxophosphanium
CID 123665986
2-(1,3-dimethylimidazol-1-ium-2-yl)-1-ethyl-3-methylimidazol-3-ium
CID 91502560
(1,3-dimethylimidazol-1-ium-2-yl) formate
CID 91301055
bis(bis(trifluoromethylsulfonyl)azanide);2-(1,3-dimethylimidazol-1-ium-2-yl)-1,3-dimethylimidazol-1-ium
CID 11297190
bis(trifluoromethylsulfonyl)azanide;1,2,3-trimethylimidazol-1-ium
CID 141479881
(1,3-dimethylimidazol-1-ium-2-yl)-ethyldiazene
CID 123294209

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,3-dimethylimidazol-1-ium;hexafluorophosphate;hydrochloride?
The IUPAC name of 2-fluoro-1,3-dimethylimidazol-1-ium;hexafluorophosphate;hydrochloride (CID 175136521) is 2-fluoro-1,3-dimethylimidazol-1-ium;hexafluorophosphate;hydrochloride.
What is the SMILES notation for 2-fluoro-1,3-dimethylimidazol-1-ium;hexafluorophosphate;hydrochloride?
The canonical SMILES for 2-fluoro-1,3-dimethylimidazol-1-ium;hexafluorophosphate;hydrochloride is Cl.Cn1cc[n+](C)c1F.F[P-](F)(F)(F)(F)F.
What is the InChIKey of 2-fluoro-1,3-dimethylimidazol-1-ium;hexafluorophosphate;hydrochloride?
The InChIKey is LDJOQXCKFPBOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN2.ClH.F6P/c1-7-3-4-8(2)5(7)6;;1-7(2,3,4,5)6/h3-4H,1-2H3;1H;/q+1;;-1.
What are the key properties of 2-fluoro-1,3-dimethylimidazol-1-ium;hexafluorophosphate;hydrochloride?
2-fluoro-1,3-dimethylimidazol-1-ium;hexafluorophosphate;hydrochloride has a molecular weight of 296.55 g/mol, XLogP of 3.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,3-dimethylimidazol-1-ium;hexafluorophosphate;hydrochloride is sourced from PubChem (CID 175136521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).