lithium 2-fluoroethanesulfonate

C2H4FLiO3S — CID 163830662

IUPAClithium 2-fluoroethanesulfonate
SMILESO=S(=O)([O-])CCF.[Li+]
InChIInChI=1S/C2H5FO3S.Li/c3-1-2-7(4,5)6;/h1-2H2,(H,4,5,6);/q;+1/p-1
InChIKeyODJHPUVALIKBSV-UHFFFAOYSA-M
MW134.06 g/mol
LogP-3.49
Rot. Bonds2

About lithium 2-fluoroethanesulfonate

lithium 2-fluoroethanesulfonate (PubChem CID 163830662) has the molecular formula C2H4FLiO3S and a molecular weight of 134.06 g/mol. Its IUPAC name is lithium 2-fluoroethanesulfonate.

Molecular Properties

Compound Namelithium 2-fluoroethanesulfonate
PubChem CID163830662
Molecular FormulaC2H4FLiO3S
Molecular Weight134.06 g/mol
Exact Mass134.00
IUPAC Namelithium 2-fluoroethanesulfonate
SMILESO=S(=O)([O-])CCF.[Li+]
InChIInChI=1S/C2H5FO3S.Li/c3-1-2-7(4,5)6;/h1-2H2,(H,4,5,6);/q;+1/p-1
InChIKeyODJHPUVALIKBSV-UHFFFAOYSA-M
XLogP-3.49
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.06
LogP ≤ 5-3.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dilithium;ethane-1,2-disulfonate
CID 87246309
5-fluoropentane-1-sulfonate
CID 20976710
ethane-1,2-disulfonate;silver
CID 87079782
strontium ethane-1,2-disulfonate
CID 87366284
erbium(3+);fluoromethanesulfonate
CID 141284700
lithium 3-aminopropane-1-sulfonate
CID 118523249
undecane-1,11-disulfonate
CID 23618255
propane-1,3-disulfonate;silver
CID 87079724
strontium bis(3-aminopropane-1-sulfonate)
CID 87367236
disodium;decane-1,10-disulfonate
CID 87519177
lithium propane-1-sulfonate
CID 131984534
2-hydroxyethanesulfonate
CID 18931617

Frequently Asked Questions

What is the IUPAC name of lithium 2-fluoroethanesulfonate?
The IUPAC name of lithium 2-fluoroethanesulfonate (CID 163830662) is lithium 2-fluoroethanesulfonate.
What is the SMILES notation for lithium 2-fluoroethanesulfonate?
The canonical SMILES for lithium 2-fluoroethanesulfonate is O=S(=O)([O-])CCF.[Li+].
What is the InChIKey of lithium 2-fluoroethanesulfonate?
The InChIKey is ODJHPUVALIKBSV-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H5FO3S.Li/c3-1-2-7(4,5)6;/h1-2H2,(H,4,5,6);/q;+1/p-1.
What are the key properties of lithium 2-fluoroethanesulfonate?
lithium 2-fluoroethanesulfonate has a molecular weight of 134.06 g/mol, XLogP of -3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-fluoroethanesulfonate is sourced from PubChem (CID 163830662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).