Dimethylpropylbutylammonium bis[(trifluoromethyl)sulfonyl]imide

C11H22F6N2O4S2 — CID 129852838

IUPACbis(trifluoromethylsulfonyl)azanide;butyl-dimethyl-propylazanium
SMILESCCCC[N+](C)(C)CCC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H22N.C2F6NO4S2/c1-5-7-9-10(3,4)8-6-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-9H2,1-4H3;/q+1;-1
InChIKeyWILZNSMPKQZDIC-UHFFFAOYSA-N
MW424.40 g/mol
LogP—
Rot. Bonds7

About Dimethylpropylbutylammonium bis[(trifluoromethyl)sulfonyl]imide

Dimethylpropylbutylammonium bis[(trifluoromethyl)sulfonyl]imide (PubChem CID 129852838) has the molecular formula C11H22F6N2O4S2 and a molecular weight of 424.40 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;butyl-dimethyl-propylazanium.

Molecular Properties

Compound NameDimethylpropylbutylammonium bis[(trifluoromethyl)sulfonyl]imide
PubChem CID129852838
Molecular FormulaC11H22F6N2O4S2
Molecular Weight424.40 g/mol
Exact Mass424.09
IUPAC Namebis(trifluoromethylsulfonyl)azanide;butyl-dimethyl-propylazanium
SMILESCCCC[N+](C)(C)CCC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H22N.C2F6NO4S2/c1-5-7-9-10(3,4)8-6-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-9H2,1-4H3;/q+1;-1
InChIKeyWILZNSMPKQZDIC-UHFFFAOYSA-N
XLogP—
TPSA86.00 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms25
Complexity451

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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 Dimethylpropylbutylammonium bis[(trifluoromethyl)sulfonyl]imide?
The IUPAC name of Dimethylpropylbutylammonium bis[(trifluoromethyl)sulfonyl]imide (CID 129852838) is bis(trifluoromethylsulfonyl)azanide;butyl-dimethyl-propylazanium.
What is the SMILES notation for Dimethylpropylbutylammonium bis[(trifluoromethyl)sulfonyl]imide?
The canonical SMILES for Dimethylpropylbutylammonium bis[(trifluoromethyl)sulfonyl]imide is CCCC[N+](C)(C)CCC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.
What is the InChIKey of Dimethylpropylbutylammonium bis[(trifluoromethyl)sulfonyl]imide?
The InChIKey is WILZNSMPKQZDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N.C2F6NO4S2/c1-5-7-9-10(3,4)8-6-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-9H2,1-4H3;/q+1;-1.
What are the key properties of Dimethylpropylbutylammonium bis[(trifluoromethyl)sulfonyl]imide?
Dimethylpropylbutylammonium bis[(trifluoromethyl)sulfonyl]imide has a molecular weight of 424.40 g/mol, XLogP of not available, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for Dimethylpropylbutylammonium bis[(trifluoromethyl)sulfonyl]imide is sourced from PubChem (CID 129852838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).