lithium bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide

C8F18LiNO4S2 — CID 14876273

IUPAClithium bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Li+]
InChIInChI=1S/C8F18NO4S2.Li/c9-1(10,5(17,18)19)3(13,14)7(23,24)32(28,29)27-33(30,31)8(25,26)4(15,16)2(11,12)6(20,21)22;/q-1;+1
InChIKeyQIWLMMWTZVIAFK-UHFFFAOYSA-N
MW587.13 g/mol
LogP1.88
Rot. Bonds8

About lithium bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide

lithium bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide (PubChem CID 14876273) has the molecular formula C8F18LiNO4S2 and a molecular weight of 587.13 g/mol. Its IUPAC name is lithium bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide.

Molecular Properties

Compound Namelithium bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide
PubChem CID14876273
Molecular FormulaC8F18LiNO4S2
Molecular Weight587.13 g/mol
Exact Mass586.91
IUPAC Namelithium bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Li+]
InChIInChI=1S/C8F18NO4S2.Li/c9-1(10,5(17,18)19)3(13,14)7(23,24)32(28,29)27-33(30,31)8(25,26)4(15,16)2(11,12)6(20,21)22;/q-1;+1
InChIKeyQIWLMMWTZVIAFK-UHFFFAOYSA-N
XLogP1.88
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.13
LogP ≤ 51.88
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
1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonic anhydride
CID 4281883
Ethanesulfonamide, 1,1,2,2,2-pentafluoro-N-((1,1,2,2,2-pentafluoroethyl)sulfonyl)-, lithium salt (1:1)
CID 12096715
Bis(1,1,2,2,3,3,3-heptafluoro-1-propanesulfonyl)imide
CID 12167909
Nonafluorobutylsulfonyl(trifluoromethylsulfonyl)amine
CID 11048287
Ammonium N,N-bis(perfluorobutanesulfonyl)amide
CID 11180926
Perfluoro-N-[(trifluoromethyl)sulfonyl]butanesulfonamide sodium salt
CID 138396263
Bis(perfluoroethylsulfonyl)imide
CID 4067273
1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluoro-N-((perfluorohexyl)sulfonyl)hexane-1-sulfonamide
CID 10898051
1,1,2,2,3,3,3-heptafluoro-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 59703058
Lithium bis(1,1,2,2,3,3,3-heptafluoro-1-propanesulfonyl)imide
CID 87691590

Frequently Asked Questions

What is the IUPAC name of lithium bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide?
The IUPAC name of lithium bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide (CID 14876273) is lithium bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide.
What is the SMILES notation for lithium bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide?
The canonical SMILES for lithium bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide is O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Li+].
What is the InChIKey of lithium bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide?
The InChIKey is QIWLMMWTZVIAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F18NO4S2.Li/c9-1(10,5(17,18)19)3(13,14)7(23,24)32(28,29)27-33(30,31)8(25,26)4(15,16)2(11,12)6(20,21)22;/q-1;+1.
What are the key properties of lithium bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide?
lithium bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide has a molecular weight of 587.13 g/mol, XLogP of 1.88, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide is sourced from PubChem (CID 14876273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).