Butylethyldimethylammonium bis(trifluoromethylsulfonyl)amide

C10H20F6N2O4S2 — CID 134612634

IUPACbis(trifluoromethylsulfonyl)azanide;butyl-ethyl-dimethylazanium
SMILESCCCC[N+](C)(C)CC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H20N.C2F6NO4S2/c1-5-7-8-9(3,4)6-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-8H2,1-4H3;/q+1;-1
InChIKeyFNWIBMVZSHPBBS-UHFFFAOYSA-N
MW410.40 g/mol
LogP—
Rot. Bonds6

About Butylethyldimethylammonium bis(trifluoromethylsulfonyl)amide

Butylethyldimethylammonium bis(trifluoromethylsulfonyl)amide (PubChem CID 134612634) has the molecular formula C10H20F6N2O4S2 and a molecular weight of 410.40 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;butyl-ethyl-dimethylazanium.

Molecular Properties

Compound NameButylethyldimethylammonium bis(trifluoromethylsulfonyl)amide
PubChem CID134612634
Molecular FormulaC10H20F6N2O4S2
Molecular Weight410.40 g/mol
Exact Mass410.08
IUPAC Namebis(trifluoromethylsulfonyl)azanide;butyl-ethyl-dimethylazanium
SMILESCCCC[N+](C)(C)CC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H20N.C2F6NO4S2/c1-5-7-8-9(3,4)6-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-8H2,1-4H3;/q+1;-1
InChIKeyFNWIBMVZSHPBBS-UHFFFAOYSA-N
XLogP—
TPSA86.00 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms24
Complexity441

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.40
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 Butylethyldimethylammonium bis(trifluoromethylsulfonyl)amide?
The IUPAC name of Butylethyldimethylammonium bis(trifluoromethylsulfonyl)amide (CID 134612634) is bis(trifluoromethylsulfonyl)azanide;butyl-ethyl-dimethylazanium.
What is the SMILES notation for Butylethyldimethylammonium bis(trifluoromethylsulfonyl)amide?
The canonical SMILES for Butylethyldimethylammonium bis(trifluoromethylsulfonyl)amide is CCCC[N+](C)(C)CC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.
What is the InChIKey of Butylethyldimethylammonium bis(trifluoromethylsulfonyl)amide?
The InChIKey is FNWIBMVZSHPBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N.C2F6NO4S2/c1-5-7-8-9(3,4)6-2;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 Butylethyldimethylammonium bis(trifluoromethylsulfonyl)amide?
Butylethyldimethylammonium bis(trifluoromethylsulfonyl)amide has a molecular weight of 410.40 g/mol, XLogP of not available, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for Butylethyldimethylammonium bis(trifluoromethylsulfonyl)amide is sourced from PubChem (CID 134612634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).