lithium 1,1,2,2,2-pentafluoroethanesulfonate

C2F5LiO3S — CID 23675225

IUPAClithium 1,1,2,2,2-pentafluoroethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)F.[Li+]
InChIInChI=1S/C2HF5O3S.Li/c3-1(4,5)2(6,7)11(8,9)10;/h(H,8,9,10);/q;+1/p-1
InChIKeyLZONLCGERJITMP-UHFFFAOYSA-M
MW206.02 g/mol
LogP-2.31
Rot. Bonds1

About lithium 1,1,2,2,2-pentafluoroethanesulfonate

lithium 1,1,2,2,2-pentafluoroethanesulfonate (PubChem CID 23675225) has the molecular formula C2F5LiO3S and a molecular weight of 206.02 g/mol. Its IUPAC name is lithium 1,1,2,2,2-pentafluoroethanesulfonate.

Molecular Properties

Compound Namelithium 1,1,2,2,2-pentafluoroethanesulfonate
PubChem CID23675225
Molecular FormulaC2F5LiO3S
Molecular Weight206.02 g/mol
Exact Mass205.96
IUPAC Namelithium 1,1,2,2,2-pentafluoroethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)F.[Li+]
InChIInChI=1S/C2HF5O3S.Li/c3-1(4,5)2(6,7)11(8,9)10;/h(H,8,9,10);/q;+1/p-1
InChIKeyLZONLCGERJITMP-UHFFFAOYSA-M
XLogP-2.31
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.02
LogP ≤ 5-2.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze lithium 1,1,2,2,2-pentafluoroethanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of lithium 1,1,2,2,2-pentafluoroethanesulfonate?
The IUPAC name of lithium 1,1,2,2,2-pentafluoroethanesulfonate (CID 23675225) is lithium 1,1,2,2,2-pentafluoroethanesulfonate.
What is the SMILES notation for lithium 1,1,2,2,2-pentafluoroethanesulfonate?
The canonical SMILES for lithium 1,1,2,2,2-pentafluoroethanesulfonate is O=S(=O)([O-])C(F)(F)C(F)(F)F.[Li+].
What is the InChIKey of lithium 1,1,2,2,2-pentafluoroethanesulfonate?
The InChIKey is LZONLCGERJITMP-UHFFFAOYSA-M. The full InChI is InChI=1S/C2HF5O3S.Li/c3-1(4,5)2(6,7)11(8,9)10;/h(H,8,9,10);/q;+1/p-1.
What are the key properties of lithium 1,1,2,2,2-pentafluoroethanesulfonate?
lithium 1,1,2,2,2-pentafluoroethanesulfonate has a molecular weight of 206.02 g/mol, XLogP of -2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,1,2,2,2-pentafluoroethanesulfonate is sourced from PubChem (CID 23675225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).