lithium;acetamide;bis(trifluoromethylsulfonyl)azanide

C4H5F6LiN2O5S2 — CID 131731365

IUPAClithium;acetamide;bis(trifluoromethylsulfonyl)azanide
SMILESCC(N)=O.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+]
InChIInChI=1S/C2F6NO4S2.C2H5NO.Li/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;1-2(3)4;/h;1H3,(H2,3,4);/q-1;;+1
InChIKeyPXMNOZKHCOOVFK-UHFFFAOYSA-N
MW346.16 g/mol
LogP-2.45
Rot. Bonds2

About lithium;acetamide;bis(trifluoromethylsulfonyl)azanide

lithium;acetamide;bis(trifluoromethylsulfonyl)azanide (PubChem CID 131731365) has the molecular formula C4H5F6LiN2O5S2 and a molecular weight of 346.16 g/mol. Its IUPAC name is lithium;acetamide;bis(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Namelithium;acetamide;bis(trifluoromethylsulfonyl)azanide
PubChem CID131731365
Molecular FormulaC4H5F6LiN2O5S2
Molecular Weight346.16 g/mol
Exact Mass345.97
IUPAC Namelithium;acetamide;bis(trifluoromethylsulfonyl)azanide
SMILESCC(N)=O.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+]
InChIInChI=1S/C2F6NO4S2.C2H5NO.Li/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;1-2(3)4;/h;1H3,(H2,3,4);/q-1;;+1
InChIKeyPXMNOZKHCOOVFK-UHFFFAOYSA-N
XLogP-2.45
TPSA125.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.16
LogP ≤ 5-2.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of lithium;acetamide;bis(trifluoromethylsulfonyl)azanide?
The IUPAC name of lithium;acetamide;bis(trifluoromethylsulfonyl)azanide (CID 131731365) is lithium;acetamide;bis(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for lithium;acetamide;bis(trifluoromethylsulfonyl)azanide?
The canonical SMILES for lithium;acetamide;bis(trifluoromethylsulfonyl)azanide is CC(N)=O.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+].
What is the InChIKey of lithium;acetamide;bis(trifluoromethylsulfonyl)azanide?
The InChIKey is PXMNOZKHCOOVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2F6NO4S2.C2H5NO.Li/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;1-2(3)4;/h;1H3,(H2,3,4);/q-1;;+1.
What are the key properties of lithium;acetamide;bis(trifluoromethylsulfonyl)azanide?
lithium;acetamide;bis(trifluoromethylsulfonyl)azanide has a molecular weight of 346.16 g/mol, XLogP of -2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;acetamide;bis(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 131731365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).