bis(trifluoromethylsulfonyl)azanide;1-ethylpyridin-1-ium

C9H10F6N2O4S2 — CID 11440619

IUPACbis(trifluoromethylsulfonyl)azanide;1-ethylpyridin-1-ium
SMILESCC[n+]1ccccc1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10N.C2F6NO4S2/c1-2-8-6-4-3-5-7-8;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-7H,2H2,1H3;/q+1;-1
InChIKeyGNWJDYQCOZNHPC-UHFFFAOYSA-N
MW388.31 g/mol
LogP2.05
Rot. Bonds3

About bis(trifluoromethylsulfonyl)azanide;1-ethylpyridin-1-ium

bis(trifluoromethylsulfonyl)azanide;1-ethylpyridin-1-ium (PubChem CID 11440619) has the molecular formula C9H10F6N2O4S2 and a molecular weight of 388.31 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;1-ethylpyridin-1-ium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;1-ethylpyridin-1-ium
PubChem CID11440619
Molecular FormulaC9H10F6N2O4S2
Molecular Weight388.31 g/mol
Exact Mass388.00
IUPAC Namebis(trifluoromethylsulfonyl)azanide;1-ethylpyridin-1-ium
SMILESCC[n+]1ccccc1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10N.C2F6NO4S2/c1-2-8-6-4-3-5-7-8;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-7H,2H2,1H3;/q+1;-1
InChIKeyGNWJDYQCOZNHPC-UHFFFAOYSA-N
XLogP2.05
TPSA86.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;1-ethylpyridin-1-ium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;1-ethylpyridin-1-ium (CID 11440619) is bis(trifluoromethylsulfonyl)azanide;1-ethylpyridin-1-ium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;1-ethylpyridin-1-ium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;1-ethylpyridin-1-ium is CC[n+]1ccccc1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;1-ethylpyridin-1-ium?
The InChIKey is GNWJDYQCOZNHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N.C2F6NO4S2/c1-2-8-6-4-3-5-7-8;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-7H,2H2,1H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;1-ethylpyridin-1-ium?
bis(trifluoromethylsulfonyl)azanide;1-ethylpyridin-1-ium has a molecular weight of 388.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;1-ethylpyridin-1-ium is sourced from PubChem (CID 11440619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).