bis(trifluoromethylsulfonyl)azanide;butylazanium

C6H12F6N2O4S2 — CID 141337356

IUPACbis(trifluoromethylsulfonyl)azanide;butylazanium
SMILESCCCC[NH3+].O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H11N.C2F6NO4S2/c1-2-3-4-5;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h2-5H2,1H3;/q;-1/p+1
InChIKeyYZDLAPXOJMUWEP-UHFFFAOYSA-O
MW354.29 g/mol
LogP1.09
Rot. Bonds4

About bis(trifluoromethylsulfonyl)azanide;butylazanium

bis(trifluoromethylsulfonyl)azanide;butylazanium (PubChem CID 141337356) has the molecular formula C6H12F6N2O4S2 and a molecular weight of 354.29 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;butylazanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;butylazanium
PubChem CID141337356
Molecular FormulaC6H12F6N2O4S2
Molecular Weight354.29 g/mol
Exact Mass354.01
IUPAC Namebis(trifluoromethylsulfonyl)azanide;butylazanium
SMILESCCCC[NH3+].O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H11N.C2F6NO4S2/c1-2-3-4-5;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h2-5H2,1H3;/q;-1/p+1
InChIKeyYZDLAPXOJMUWEP-UHFFFAOYSA-O
XLogP1.09
TPSA110.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;butylazanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;butylazanium (CID 141337356) is bis(trifluoromethylsulfonyl)azanide;butylazanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;butylazanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;butylazanium is CCCC[NH3+].O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;butylazanium?
The InChIKey is YZDLAPXOJMUWEP-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H11N.C2F6NO4S2/c1-2-3-4-5;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h2-5H2,1H3;/q;-1/p+1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;butylazanium?
bis(trifluoromethylsulfonyl)azanide;butylazanium has a molecular weight of 354.29 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;butylazanium is sourced from PubChem (CID 141337356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).