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'}

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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).