bis(trifluoromethylsulfonyl)azanide;1-hexyl-3-methylimidazol-3-ium

C12H19F6N3O4S2 — CID 10411334

IUPACbis(trifluoromethylsulfonyl)azanide;1-hexyl-3-methylimidazol-3-ium
SMILESCCCCCCn1cc[n+](C)c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H19N2.C2F6NO4S2/c1-3-4-5-6-7-12-9-8-11(2)10-12;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h8-10H,3-7H2,1-2H3;/q+1;-1
InChIKeyRCNFOZUBFOFJKZ-UHFFFAOYSA-N
MW447.42 g/mol
LogP2.95
Rot. Bonds7

About bis(trifluoromethylsulfonyl)azanide;1-hexyl-3-methylimidazol-3-ium

bis(trifluoromethylsulfonyl)azanide;1-hexyl-3-methylimidazol-3-ium (PubChem CID 10411334) has the molecular formula C12H19F6N3O4S2 and a molecular weight of 447.42 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;1-hexyl-3-methylimidazol-3-ium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;1-hexyl-3-methylimidazol-3-ium
PubChem CID10411334
Molecular FormulaC12H19F6N3O4S2
Molecular Weight447.42 g/mol
Exact Mass447.07
IUPAC Namebis(trifluoromethylsulfonyl)azanide;1-hexyl-3-methylimidazol-3-ium
SMILESCCCCCCn1cc[n+](C)c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H19N2.C2F6NO4S2/c1-3-4-5-6-7-12-9-8-11(2)10-12;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h8-10H,3-7H2,1-2H3;/q+1;-1
InChIKeyRCNFOZUBFOFJKZ-UHFFFAOYSA-N
XLogP2.95
TPSA91.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.42
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(trifluoromethylsulfonyl)azanide;8-(3-methylimidazol-3-ium-1-yl)octan-1-ol
CID 153320976
bis(bis(trifluoromethylsulfonyl)azanide);bis(1-ethyl-3-methylimidazol-3-ium)
CID 139195180
1-methyl-3-pentylimidazol-1-ium;bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)
CID 166681147
bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1-methyl-3-propylimidazol-1-ium
CID 140963555
magnesium;1-butyl-3-methylimidazol-3-ium;hydride;trifluoromethanesulfonic acid
CID 175115848
1-heptyl-3-methylimidazol-3-ium chloride
CID 87431779
1-decyl-3-methylimidazol-3-ium hydroxide
CID 162364634
1-icosyl-3-methylimidazol-3-ium bromide
CID 141143655
1-methyl-3-nonadecylimidazol-1-ium chloride
CID 10452646
1-dotetracontyl-3-methylimidazol-3-ium chloride
CID 141281431
bis(2,2,2-trifluoroethylsulfonyl)azanide;1-butyl-3-methylimidazol-3-ium
CID 22061689
1-hexyl-3-methylimidazol-3-ium;hydrogen carbonate
CID 71551842

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;1-hexyl-3-methylimidazol-3-ium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;1-hexyl-3-methylimidazol-3-ium (CID 10411334) is bis(trifluoromethylsulfonyl)azanide;1-hexyl-3-methylimidazol-3-ium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;1-hexyl-3-methylimidazol-3-ium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;1-hexyl-3-methylimidazol-3-ium is CCCCCCn1cc[n+](C)c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;1-hexyl-3-methylimidazol-3-ium?
The InChIKey is RCNFOZUBFOFJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N2.C2F6NO4S2/c1-3-4-5-6-7-12-9-8-11(2)10-12;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h8-10H,3-7H2,1-2H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;1-hexyl-3-methylimidazol-3-ium?
bis(trifluoromethylsulfonyl)azanide;1-hexyl-3-methylimidazol-3-ium has a molecular weight of 447.42 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;1-hexyl-3-methylimidazol-3-ium is sourced from PubChem (CID 10411334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).