bis(bis(trifluoromethylsulfonyl)azanide);bis(triethylazanium)

C16H32F12N4O8S4 — CID 139924468

IUPACbis(bis(trifluoromethylsulfonyl)azanide);bis(triethylazanium)
SMILESCC[NH+](CC)CC.CC[NH+](CC)CC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/2C6H15N.2C2F6NO4S2/c2*1-4-7(5-2)6-3;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h2*4-6H2,1-3H3;;/q;;2*-1/p+2
InChIKeyMEZJNVFIYMXQER-UHFFFAOYSA-P
MW764.70 g/mol
LogP1.98
Rot. Bonds10

About bis(bis(trifluoromethylsulfonyl)azanide);bis(triethylazanium)

bis(bis(trifluoromethylsulfonyl)azanide);bis(triethylazanium) (PubChem CID 139924468) has the molecular formula C16H32F12N4O8S4 and a molecular weight of 764.70 g/mol. Its IUPAC name is bis(bis(trifluoromethylsulfonyl)azanide);bis(triethylazanium).

Molecular Properties

Compound Namebis(bis(trifluoromethylsulfonyl)azanide);bis(triethylazanium)
PubChem CID139924468
Molecular FormulaC16H32F12N4O8S4
Molecular Weight764.70 g/mol
Exact Mass764.09
IUPAC Namebis(bis(trifluoromethylsulfonyl)azanide);bis(triethylazanium)
SMILESCC[NH+](CC)CC.CC[NH+](CC)CC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/2C6H15N.2C2F6NO4S2/c2*1-4-7(5-2)6-3;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h2*4-6H2,1-3H3;;/q;;2*-1/p+2
InChIKeyMEZJNVFIYMXQER-UHFFFAOYSA-P
XLogP1.98
TPSA173.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500764.70
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of bis(bis(trifluoromethylsulfonyl)azanide);bis(triethylazanium)?
The IUPAC name of bis(bis(trifluoromethylsulfonyl)azanide);bis(triethylazanium) (CID 139924468) is bis(bis(trifluoromethylsulfonyl)azanide);bis(triethylazanium).
What is the SMILES notation for bis(bis(trifluoromethylsulfonyl)azanide);bis(triethylazanium)?
The canonical SMILES for bis(bis(trifluoromethylsulfonyl)azanide);bis(triethylazanium) is CC[NH+](CC)CC.CC[NH+](CC)CC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(bis(trifluoromethylsulfonyl)azanide);bis(triethylazanium)?
The InChIKey is MEZJNVFIYMXQER-UHFFFAOYSA-P. The full InChI is InChI=1S/2C6H15N.2C2F6NO4S2/c2*1-4-7(5-2)6-3;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h2*4-6H2,1-3H3;;/q;;2*-1/p+2.
What are the key properties of bis(bis(trifluoromethylsulfonyl)azanide);bis(triethylazanium)?
bis(bis(trifluoromethylsulfonyl)azanide);bis(triethylazanium) has a molecular weight of 764.70 g/mol, XLogP of 1.98, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(bis(trifluoromethylsulfonyl)azanide);bis(triethylazanium) is sourced from PubChem (CID 139924468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).