bis(trifluoromethylsulfonyl)azanide;triethyl(methoxymethyl)azanium

C10H20F6N2O5S2 — CID 131739080

IUPACbis(trifluoromethylsulfonyl)azanide;triethyl(methoxymethyl)azanium
SMILESCC[N+](CC)(CC)COC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H20NO.C2F6NO4S2/c1-5-9(6-2,7-3)8-10-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-8H2,1-4H3;/q+1;-1
InChIKeyGLGIWRJFYIZIPE-UHFFFAOYSA-N
MW426.40 g/mol
LogP2.53
Rot. Bonds7

About bis(trifluoromethylsulfonyl)azanide;triethyl(methoxymethyl)azanium

bis(trifluoromethylsulfonyl)azanide;triethyl(methoxymethyl)azanium (PubChem CID 131739080) has the molecular formula C10H20F6N2O5S2 and a molecular weight of 426.40 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;triethyl(methoxymethyl)azanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;triethyl(methoxymethyl)azanium
PubChem CID131739080
Molecular FormulaC10H20F6N2O5S2
Molecular Weight426.40 g/mol
Exact Mass426.07
IUPAC Namebis(trifluoromethylsulfonyl)azanide;triethyl(methoxymethyl)azanium
SMILESCC[N+](CC)(CC)COC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H20NO.C2F6NO4S2/c1-5-9(6-2,7-3)8-10-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-8H2,1-4H3;/q+1;-1
InChIKeyGLGIWRJFYIZIPE-UHFFFAOYSA-N
XLogP2.53
TPSA91.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze bis(trifluoromethylsulfonyl)azanide;triethyl(methoxymethyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tributylmethylammonium bis(trifluoromethylsulfonyl)imide
CID 44630019
Ethyl(2-methoxyethyl)dimethylammonium Bis(trifluoromethanesulfonyl)imide
CID 87081346
Ethanesulfonamide, 1,1,2,2,2-pentafluoro-N-((1,1,2,2,2-pentafluoroethyl)sulfonyl)-, compd. with N,N-diethylethanamine (1:1)
CID 44152150
Tetraethylammonium bistrifluoromethanesulfonimidate
CID 16218644
N,N,N-Trimethylpropan-1-aminium bis(trifluoromethanesulfonyl)azanide
CID 53384436
Triethylbutylammonium bis(trifluoromethylsulfonyl)imide
CID 121235741
Ethyldimethylpropylammonium bis(trifluoromethylsulfonyl)imide
CID 71310880
Ethyl(3-methoxypropyl)dimethylammonium Bis(trifluoromethanesulfonyl)imide
CID 132274878
Bis(trifluoromethylsulfonyl)azanide;diethyl-(2-methoxyethyl)-methylazanium
CID 11487123
Dimethylpropylbutylammonium bis[(trifluoromethyl)sulfonyl]imide
CID 129852838
Butylethyldimethylammonium bis(trifluoromethylsulfonyl)amide
CID 134612634
N,N-diethyl-N-methyl-N-(n-propyl)ammonium bis(trifluoromethylsulfonyl) amide
CID 134716373

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;triethyl(methoxymethyl)azanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;triethyl(methoxymethyl)azanium (CID 131739080) is bis(trifluoromethylsulfonyl)azanide;triethyl(methoxymethyl)azanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;triethyl(methoxymethyl)azanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;triethyl(methoxymethyl)azanium is CC[N+](CC)(CC)COC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;triethyl(methoxymethyl)azanium?
The InChIKey is GLGIWRJFYIZIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO.C2F6NO4S2/c1-5-9(6-2,7-3)8-10-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-8H2,1-4H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;triethyl(methoxymethyl)azanium?
bis(trifluoromethylsulfonyl)azanide;triethyl(methoxymethyl)azanium has a molecular weight of 426.40 g/mol, XLogP of 2.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;triethyl(methoxymethyl)azanium is sourced from PubChem (CID 131739080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).