bis(trifluoromethylsulfonyl)azanide;diethyl-methyl-propylazanium

C10H20F6N2O4S2 — CID 134716373

IUPACbis(trifluoromethylsulfonyl)azanide;diethyl-methyl-propylazanium
SMILESCCC[N+](C)(CC)CC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H20N.C2F6NO4S2/c1-5-8-9(4,6-2)7-3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-8H2,1-4H3;/q+1;-1
InChIKeyAFLMTOMXFUOVQB-UHFFFAOYSA-N
MW410.40 g/mol
LogP2.94
Rot. Bonds6

About bis(trifluoromethylsulfonyl)azanide;diethyl-methyl-propylazanium

bis(trifluoromethylsulfonyl)azanide;diethyl-methyl-propylazanium (PubChem CID 134716373) has the molecular formula C10H20F6N2O4S2 and a molecular weight of 410.40 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;diethyl-methyl-propylazanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;diethyl-methyl-propylazanium
PubChem CID134716373
Molecular FormulaC10H20F6N2O4S2
Molecular Weight410.40 g/mol
Exact Mass410.08
IUPAC Namebis(trifluoromethylsulfonyl)azanide;diethyl-methyl-propylazanium
SMILESCCC[N+](C)(CC)CC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H20N.C2F6NO4S2/c1-5-8-9(4,6-2)7-3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-8H2,1-4H3;/q+1;-1
InChIKeyAFLMTOMXFUOVQB-UHFFFAOYSA-N
XLogP2.94
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;diethyl-methyl-propylazanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;diethyl-methyl-propylazanium (CID 134716373) is bis(trifluoromethylsulfonyl)azanide;diethyl-methyl-propylazanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;diethyl-methyl-propylazanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;diethyl-methyl-propylazanium is CCC[N+](C)(CC)CC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;diethyl-methyl-propylazanium?
The InChIKey is AFLMTOMXFUOVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N.C2F6NO4S2/c1-5-8-9(4,6-2)7-3;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;diethyl-methyl-propylazanium?
bis(trifluoromethylsulfonyl)azanide;diethyl-methyl-propylazanium has a molecular weight of 410.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;diethyl-methyl-propylazanium is sourced from PubChem (CID 134716373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).