bis(trifluoromethylsulfonyl)azanide;1,2-dimethyl-3-propylimidazol-1-ium

C10H15F6N3O4S2 — CID 11750474

IUPACbis(trifluoromethylsulfonyl)azanide;1,2-dimethyl-3-propylimidazol-1-ium
SMILESCCCn1cc[n+](C)c1C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H15N2.C2F6NO4S2/c1-4-5-10-7-6-9(3)8(10)2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h6-7H,4-5H2,1-3H3;/q+1;-1
InChIKeyXOZHIVUWCICHSQ-UHFFFAOYSA-N
MW419.37 g/mol
LogP2.09
Rot. Bonds4

About bis(trifluoromethylsulfonyl)azanide;1,2-dimethyl-3-propylimidazol-1-ium

bis(trifluoromethylsulfonyl)azanide;1,2-dimethyl-3-propylimidazol-1-ium (PubChem CID 11750474) has the molecular formula C10H15F6N3O4S2 and a molecular weight of 419.37 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;1,2-dimethyl-3-propylimidazol-1-ium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;1,2-dimethyl-3-propylimidazol-1-ium
PubChem CID11750474
Molecular FormulaC10H15F6N3O4S2
Molecular Weight419.37 g/mol
Exact Mass419.04
IUPAC Namebis(trifluoromethylsulfonyl)azanide;1,2-dimethyl-3-propylimidazol-1-ium
SMILESCCCn1cc[n+](C)c1C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H15N2.C2F6NO4S2/c1-4-5-10-7-6-9(3)8(10)2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h6-7H,4-5H2,1-3H3;/q+1;-1
InChIKeyXOZHIVUWCICHSQ-UHFFFAOYSA-N
XLogP2.09
TPSA91.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.37
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-Hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide
CID 10411334
1-Decyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide
CID 12040509
1-Methyl-3-n-octylimidazolium Bis(trifluoromethanesulfonyl)imide
CID 12184591
1-Methyl-3-n-octylimidazolium Trifluoromethanesulfonate
CID 16212746
1-Ethyl-3-methylimidazolium trifluoromethanesulfonate
CID 2758874
1-Butyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide
CID 11212667
1-Butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide
CID 11258643
1-Ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide
CID 11731903
1-Heptyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide
CID 12184590
1-Decyl-3-methylimidazolium triflate
CID 22239085
1-Methyl-3-octadecylimidazolium bis(trifluoromethylsulfonyl)imide
CID 46191760
1-Dodecyl-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide
CID 53316407

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;1,2-dimethyl-3-propylimidazol-1-ium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;1,2-dimethyl-3-propylimidazol-1-ium (CID 11750474) is bis(trifluoromethylsulfonyl)azanide;1,2-dimethyl-3-propylimidazol-1-ium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;1,2-dimethyl-3-propylimidazol-1-ium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;1,2-dimethyl-3-propylimidazol-1-ium is CCCn1cc[n+](C)c1C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;1,2-dimethyl-3-propylimidazol-1-ium?
The InChIKey is XOZHIVUWCICHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N2.C2F6NO4S2/c1-4-5-10-7-6-9(3)8(10)2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h6-7H,4-5H2,1-3H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;1,2-dimethyl-3-propylimidazol-1-ium?
bis(trifluoromethylsulfonyl)azanide;1,2-dimethyl-3-propylimidazol-1-ium has a molecular weight of 419.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;1,2-dimethyl-3-propylimidazol-1-ium is sourced from PubChem (CID 11750474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).