dilithium bis(1,1,2,2,2-pentafluoroethanesulfonate)

C4F10Li2O6S2 — CID 153294032

IUPACdilithium bis(1,1,2,2,2-pentafluoroethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)F.[Li+].[Li+]
InChIInChI=1S/2C2HF5O3S.2Li/c2*3-1(4,5)2(6,7)11(8,9)10;;/h2*(H,8,9,10);;/q;;2*+1/p-2
InChIKeyXEZORFQPRKITCV-UHFFFAOYSA-L
MW412.03 g/mol
LogP-4.62
Rot. Bonds2

About dilithium bis(1,1,2,2,2-pentafluoroethanesulfonate)

dilithium bis(1,1,2,2,2-pentafluoroethanesulfonate) (PubChem CID 153294032) has the molecular formula C4F10Li2O6S2 and a molecular weight of 412.03 g/mol. Its IUPAC name is dilithium bis(1,1,2,2,2-pentafluoroethanesulfonate).

Molecular Properties

Compound Namedilithium bis(1,1,2,2,2-pentafluoroethanesulfonate)
PubChem CID153294032
Molecular FormulaC4F10Li2O6S2
Molecular Weight412.03 g/mol
Exact Mass411.93
IUPAC Namedilithium bis(1,1,2,2,2-pentafluoroethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)F.[Li+].[Li+]
InChIInChI=1S/2C2HF5O3S.2Li/c2*3-1(4,5)2(6,7)11(8,9)10;;/h2*(H,8,9,10);;/q;;2*+1/p-2
InChIKeyXEZORFQPRKITCV-UHFFFAOYSA-L
XLogP-4.62
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.03
LogP ≤ 5-4.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1,1,2,2,2-pentafluoroethanesulfonate
CID 22062497
potassium 1,1,2,2,2-pentafluoroethanesulfonate
CID 23666373
1,1,2,2,2-pentafluoroethanesulfonate;tetramethylazanium
CID 139914355
silver 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate
CID 88642392
bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);mercury(2+)
CID 22604813
bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);iridium
CID 162115807
pentakis(trifluoromethanesulfonate);vanadium
CID 140617079
scandium(3+);bis(trifluoromethanesulfonate)
CID 135121751
CID 170997250
CID 170997250
dodecakis(cerium(3+));(trifluoromethanesulfonate)
CID 173221749
dilithium;hydride;trifluoromethanesulfonate
CID 173362891
1,1,2,2,3,3,4,4,5,5-decafluoropentane-1,5-disulfonate
CID 58716100

Frequently Asked Questions

What is the IUPAC name of dilithium bis(1,1,2,2,2-pentafluoroethanesulfonate)?
The IUPAC name of dilithium bis(1,1,2,2,2-pentafluoroethanesulfonate) (CID 153294032) is dilithium bis(1,1,2,2,2-pentafluoroethanesulfonate).
What is the SMILES notation for dilithium bis(1,1,2,2,2-pentafluoroethanesulfonate)?
The canonical SMILES for dilithium bis(1,1,2,2,2-pentafluoroethanesulfonate) is O=S(=O)([O-])C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)F.[Li+].[Li+].
What is the InChIKey of dilithium bis(1,1,2,2,2-pentafluoroethanesulfonate)?
The InChIKey is XEZORFQPRKITCV-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2HF5O3S.2Li/c2*3-1(4,5)2(6,7)11(8,9)10;;/h2*(H,8,9,10);;/q;;2*+1/p-2.
What are the key properties of dilithium bis(1,1,2,2,2-pentafluoroethanesulfonate)?
dilithium bis(1,1,2,2,2-pentafluoroethanesulfonate) has a molecular weight of 412.03 g/mol, XLogP of -4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium bis(1,1,2,2,2-pentafluoroethanesulfonate) is sourced from PubChem (CID 153294032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).