magnesium;1-butyl-3-methylimidazol-3-ium;hydride;trifluoromethanesulfonic acid

C9H18F3MgN2O3S+ — CID 175115848

IUPACmagnesium;1-butyl-3-methylimidazol-3-ium;hydride;trifluoromethanesulfonic acid
SMILESCCCCn1cc[n+](C)c1.O=S(=O)(O)C(F)(F)F.[H-].[H-].[Mg+2]
InChIInChI=1S/C8H15N2.CHF3O3S.Mg.2H/c1-3-4-5-10-7-6-9(2)8-10;2-1(3,4)8(5,6)7;;;/h6-8H,3-5H2,1-2H3;(H,5,6,7);;;/q+1;;+2;2*-1
InChIKeyBYDUDGCLMRDCQQ-UHFFFAOYSA-N
MW315.62 g/mol
LogP1.35
Rot. Bonds3

About magnesium;1-butyl-3-methylimidazol-3-ium;hydride;trifluoromethanesulfonic acid

magnesium;1-butyl-3-methylimidazol-3-ium;hydride;trifluoromethanesulfonic acid (PubChem CID 175115848) has the molecular formula C9H18F3MgN2O3S+ and a molecular weight of 315.62 g/mol. Its IUPAC name is magnesium;1-butyl-3-methylimidazol-3-ium;hydride;trifluoromethanesulfonic acid.

Molecular Properties

Compound Namemagnesium;1-butyl-3-methylimidazol-3-ium;hydride;trifluoromethanesulfonic acid
PubChem CID175115848
Molecular FormulaC9H18F3MgN2O3S+
Molecular Weight315.62 g/mol
Exact Mass315.08
IUPAC Namemagnesium;1-butyl-3-methylimidazol-3-ium;hydride;trifluoromethanesulfonic acid
SMILESCCCCn1cc[n+](C)c1.O=S(=O)(O)C(F)(F)F.[H-].[H-].[Mg+2]
InChIInChI=1S/C8H15N2.CHF3O3S.Mg.2H/c1-3-4-5-10-7-6-9(2)8-10;2-1(3,4)8(5,6)7;;;/h6-8H,3-5H2,1-2H3;(H,5,6,7);;;/q+1;;+2;2*-1
InChIKeyBYDUDGCLMRDCQQ-UHFFFAOYSA-N
XLogP1.35
TPSA63.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.62
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

1-butyl-3-methylimidazol-3-ium;2,2,2-trifluoroethanesulfonate
CID 140652261
1-methyl-3-pentylimidazol-1-ium;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)
CID 166681147
bis(2,2,2-trifluoroethylsulfonyl)azanide;1-butyl-3-methylimidazol-3-ium
CID 22061689
bis(trifluoromethylsulfonyl)azanide;1-hexyl-3-methylimidazol-3-ium
CID 10411334
1-butyl-3-methylimidazol-3-ium;tetrahydrate
CID 175081123
1-butyl-3-methylimidazol-3-ium;ethanol;hexafluorophosphate
CID 175105794
bis(1-butyl-3-methylimidazol-3-ium);methoxymethane;sulfate
CID 175434086
1-butyl-3-methylimidazol-3-ium;urea;chloride
CID 174948726
1-butyl-3-methylimidazol-3-ium;1,1,2,2,3,3-hexafluoropropane-1-sulfonate
CID 87284996
1-butyl-3-methylimidazol-3-ium;chloroplatinum
CID 175008486
1-butyl-3-methylimidazol-3-ium;molecular bromine;bromide
CID 11245926
docosakis(1-butyl-3-methylimidazol-3-ium);undecakis(fluoro-dioxido-oxo-λ5-phosphane)
CID 142702508

Frequently Asked Questions

What is the IUPAC name of magnesium;1-butyl-3-methylimidazol-3-ium;hydride;trifluoromethanesulfonic acid?
The IUPAC name of magnesium;1-butyl-3-methylimidazol-3-ium;hydride;trifluoromethanesulfonic acid (CID 175115848) is magnesium;1-butyl-3-methylimidazol-3-ium;hydride;trifluoromethanesulfonic acid.
What is the SMILES notation for magnesium;1-butyl-3-methylimidazol-3-ium;hydride;trifluoromethanesulfonic acid?
The canonical SMILES for magnesium;1-butyl-3-methylimidazol-3-ium;hydride;trifluoromethanesulfonic acid is CCCCn1cc[n+](C)c1.O=S(=O)(O)C(F)(F)F.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;1-butyl-3-methylimidazol-3-ium;hydride;trifluoromethanesulfonic acid?
The InChIKey is BYDUDGCLMRDCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N2.CHF3O3S.Mg.2H/c1-3-4-5-10-7-6-9(2)8-10;2-1(3,4)8(5,6)7;;;/h6-8H,3-5H2,1-2H3;(H,5,6,7);;;/q+1;;+2;2*-1.
What are the key properties of magnesium;1-butyl-3-methylimidazol-3-ium;hydride;trifluoromethanesulfonic acid?
magnesium;1-butyl-3-methylimidazol-3-ium;hydride;trifluoromethanesulfonic acid has a molecular weight of 315.62 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-butyl-3-methylimidazol-3-ium;hydride;trifluoromethanesulfonic acid is sourced from PubChem (CID 175115848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).