lithium bis(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)azanide

C6F14LiNO4S2 — CID 87691590

IUPAClithium bis(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)azanide
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.[Li+]
InChIInChI=1S/C6F14NO4S2.Li/c7-1(8,3(11,12)13)5(17,18)26(22,23)21-27(24,25)6(19,20)2(9,10)4(14,15)16;/q-1;+1
InChIKeyXNQIRERQWNDDCA-UHFFFAOYSA-N
MW487.12 g/mol
LogP0.60
Rot. Bonds6

About lithium bis(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)azanide

lithium bis(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)azanide (PubChem CID 87691590) has the molecular formula C6F14LiNO4S2 and a molecular weight of 487.12 g/mol. Its IUPAC name is lithium bis(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)azanide.

Molecular Properties

Compound Namelithium bis(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)azanide
PubChem CID87691590
Molecular FormulaC6F14LiNO4S2
Molecular Weight487.12 g/mol
Exact Mass486.92
IUPAC Namelithium bis(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)azanide
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.[Li+]
InChIInChI=1S/C6F14NO4S2.Li/c7-1(8,3(11,12)13)5(17,18)26(22,23)21-27(24,25)6(19,20)2(9,10)4(14,15)16;/q-1;+1
InChIKeyXNQIRERQWNDDCA-UHFFFAOYSA-N
XLogP0.60
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.12
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Potassium bis(nonafluorobutanesulfonyl)imide
CID 11319533
1,1,2,2,3,3,4,4,4-Nonafluoro-N-((1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulfonyl)-1-butanesulfonamide
CID 10211210
Ethanesulfonamide, 1,1,2,2,2-pentafluoro-N-[(pentafluoroethyl)sulfonyl]-
CID 2779028
Ethanesulfonamide, 1,1,2,2,2-pentafluoro-N-((1,1,2,2,2-pentafluoroethyl)sulfonyl)-, lithium salt (1:1)
CID 12096715
Lithium Bis(1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonyl)imide
CID 14876273
Lithium 1,1,2,2,3,3-Hexafluoropropane-1,3-disulfonimide
CID 44630347
Bis(1,1,2,2,3,3,3-heptafluoro-1-propanesulfonyl)imide
CID 12167909
Octafluorobutane-1,4-disulfonamide
CID 11631855
Nonafluorobutylsulfonyl(trifluoromethylsulfonyl)amine
CID 11048287
Perfluoro-N-[(trifluoromethyl)sulfonyl]butanesulfonamide sodium salt
CID 138396263
Bis(perfluoroethylsulfonyl)imide
CID 4067273
1,1,2,2,3,3,3-heptafluoro-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 59703058

Frequently Asked Questions

What is the IUPAC name of lithium bis(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)azanide?
The IUPAC name of lithium bis(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)azanide (CID 87691590) is lithium bis(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)azanide.
What is the SMILES notation for lithium bis(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)azanide?
The canonical SMILES for lithium bis(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)azanide is O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.[Li+].
What is the InChIKey of lithium bis(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)azanide?
The InChIKey is XNQIRERQWNDDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F14NO4S2.Li/c7-1(8,3(11,12)13)5(17,18)26(22,23)21-27(24,25)6(19,20)2(9,10)4(14,15)16;/q-1;+1.
What are the key properties of lithium bis(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)azanide?
lithium bis(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)azanide has a molecular weight of 487.12 g/mol, XLogP of 0.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium bis(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)azanide is sourced from PubChem (CID 87691590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).