lithium;bis(trifluoromethylsulfonyl)azanide;bis(2-hydroxyethyl(trimethyl)azanium);methane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;chloride

C15H33ClF12LiN4O10S4+ — CID 161152479

IUPAClithium;bis(trifluoromethylsulfonyl)azanide;bis(2-hydroxyethyl(trimethyl)azanium);methane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;chloride
SMILESC.C[N+](C)(C)CCO.C[N+](C)(C)CCO.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Cl-].[Li+]
InChIInChI=1S/2C5H14NO.C2HF6NO4S2.C2F6NO4S2.CH4.ClH.Li/c2*1-6(2,3)4-5-7;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;;;/h2*7H,4-5H2,1-3H3;9H;;1H4;1H;/q2*+1;;-1;;;+1/p-1
InChIKeyUHTKKKFDYQGBNF-UHFFFAOYSA-M
MW828.08 g/mol
LogP-4.65
Rot. Bonds8

About lithium;bis(trifluoromethylsulfonyl)azanide;bis(2-hydroxyethyl(trimethyl)azanium);methane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;chloride

lithium;bis(trifluoromethylsulfonyl)azanide;bis(2-hydroxyethyl(trimethyl)azanium);methane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;chloride (PubChem CID 161152479) has the molecular formula C15H33ClF12LiN4O10S4+ and a molecular weight of 828.08 g/mol. Its IUPAC name is lithium;bis(trifluoromethylsulfonyl)azanide;bis(2-hydroxyethyl(trimethyl)azanium);methane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;chloride.

Molecular Properties

Compound Namelithium;bis(trifluoromethylsulfonyl)azanide;bis(2-hydroxyethyl(trimethyl)azanium);methane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;chloride
PubChem CID161152479
Molecular FormulaC15H33ClF12LiN4O10S4+
Molecular Weight828.08 g/mol
Exact Mass827.07
IUPAC Namelithium;bis(trifluoromethylsulfonyl)azanide;bis(2-hydroxyethyl(trimethyl)azanium);methane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;chloride
SMILESC.C[N+](C)(C)CCO.C[N+](C)(C)CCO.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Cl-].[Li+]
InChIInChI=1S/2C5H14NO.C2HF6NO4S2.C2F6NO4S2.CH4.ClH.Li/c2*1-6(2,3)4-5-7;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;;;/h2*7H,4-5H2,1-3H3;9H;;1H4;1H;/q2*+1;;-1;;;+1/p-1
InChIKeyUHTKKKFDYQGBNF-UHFFFAOYSA-M
XLogP-4.65
TPSA203.15 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500828.08
LogP ≤ 5-4.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

ethyl(trimethyl)azanium;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 175259089
bis(trifluoromethylsulfonyl)azanide;butyl(trimethyl)azanium
CID 12991988
heptyl(trimethyl)azanium;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 87089549
bis(trifluoromethylsulfonyl)azanide;hexyl(trimethyl)azanium
CID 12991990
bis(trifluoromethylsulfonyl)azanide;dodecyl-bis(2-hydroxyethyl)-methylazanium
CID 141217234
barium(2+);2-hydroxyethyl(trimethyl)azanium
CID 88662937
indium(3+);bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)
CID 131725280
bis(trifluoromethylsulfonyl)azanide;tetrapropylazanium
CID 141376230
bis(trifluoromethylsulfonyl)azanide;ethyl-dimethyl-propylazanium
CID 71310880
N-methylmethanamine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 171932401
bis(trifluoromethylsulfonyl)azanide;dodecyl-ethyl-bis(2-hydroxyethyl)azanium
CID 166133392
bis(trifluoromethylsulfonyl)azanide;gold(1+)
CID 102109298

Frequently Asked Questions

What is the IUPAC name of lithium;bis(trifluoromethylsulfonyl)azanide;bis(2-hydroxyethyl(trimethyl)azanium);methane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;chloride?
The IUPAC name of lithium;bis(trifluoromethylsulfonyl)azanide;bis(2-hydroxyethyl(trimethyl)azanium);methane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;chloride (CID 161152479) is lithium;bis(trifluoromethylsulfonyl)azanide;bis(2-hydroxyethyl(trimethyl)azanium);methane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;chloride.
What is the SMILES notation for lithium;bis(trifluoromethylsulfonyl)azanide;bis(2-hydroxyethyl(trimethyl)azanium);methane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;chloride?
The canonical SMILES for lithium;bis(trifluoromethylsulfonyl)azanide;bis(2-hydroxyethyl(trimethyl)azanium);methane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;chloride is C.C[N+](C)(C)CCO.C[N+](C)(C)CCO.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Cl-].[Li+].
What is the InChIKey of lithium;bis(trifluoromethylsulfonyl)azanide;bis(2-hydroxyethyl(trimethyl)azanium);methane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;chloride?
The InChIKey is UHTKKKFDYQGBNF-UHFFFAOYSA-M. The full InChI is InChI=1S/2C5H14NO.C2HF6NO4S2.C2F6NO4S2.CH4.ClH.Li/c2*1-6(2,3)4-5-7;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;;;/h2*7H,4-5H2,1-3H3;9H;;1H4;1H;/q2*+1;;-1;;;+1/p-1.
What are the key properties of lithium;bis(trifluoromethylsulfonyl)azanide;bis(2-hydroxyethyl(trimethyl)azanium);methane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;chloride?
lithium;bis(trifluoromethylsulfonyl)azanide;bis(2-hydroxyethyl(trimethyl)azanium);methane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;chloride has a molecular weight of 828.08 g/mol, XLogP of -4.65, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;bis(trifluoromethylsulfonyl)azanide;bis(2-hydroxyethyl(trimethyl)azanium);methane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;chloride is sourced from PubChem (CID 161152479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).