lithium 1,1,2-trifluoroethanesulfonate

C2H2F3LiO3S — CID 23700454

IUPAClithium 1,1,2-trifluoroethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)CF.[Li+]
InChIInChI=1S/C2H3F3O3S.Li/c3-1-2(4,5)9(6,7)8;/h1H2,(H,6,7,8);/q;+1/p-1
InChIKeyQLWWDZMGWGAADP-UHFFFAOYSA-M
MW170.04 g/mol
LogP-2.90
Rot. Bonds2

About lithium 1,1,2-trifluoroethanesulfonate

lithium 1,1,2-trifluoroethanesulfonate (PubChem CID 23700454) has the molecular formula C2H2F3LiO3S and a molecular weight of 170.04 g/mol. Its IUPAC name is lithium 1,1,2-trifluoroethanesulfonate.

Molecular Properties

Compound Namelithium 1,1,2-trifluoroethanesulfonate
PubChem CID23700454
Molecular FormulaC2H2F3LiO3S
Molecular Weight170.04 g/mol
Exact Mass169.98
IUPAC Namelithium 1,1,2-trifluoroethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)CF.[Li+]
InChIInChI=1S/C2H3F3O3S.Li/c3-1-2(4,5)9(6,7)8;/h1H2,(H,6,7,8);/q;+1/p-1
InChIKeyQLWWDZMGWGAADP-UHFFFAOYSA-M
XLogP-2.90
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.04
LogP ≤ 5-2.90
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

1,1,2,2,3,3,4-heptafluorobutane-1-sulfonate
CID 154053922
potassium 1,1,2,2,3,3,4-heptafluorobutane-1-sulfonate
CID 122482027
pentakis(trifluoromethanesulfonate);vanadium
CID 140617079
fluoromethanetrisulfonate
CID 59641509
scandium(3+);bis(trifluoromethanesulfonate)
CID 135121751
CID 170997250
CID 170997250
dodecakis(cerium(3+));(trifluoromethanesulfonate)
CID 173221749
dilithium;hydride;trifluoromethanesulfonate
CID 173362891
lithium 1,1-difluorohexane-1-sulfonate
CID 122481859
potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorononane-1-sulfonate
CID 122482009
1,1-difluorobutane-1-sulfonate;tetraethylazanium
CID 122481605
copper;bis(trifluoromethanesulfonate);trihydrate
CID 140682148

Frequently Asked Questions

What is the IUPAC name of lithium 1,1,2-trifluoroethanesulfonate?
The IUPAC name of lithium 1,1,2-trifluoroethanesulfonate (CID 23700454) is lithium 1,1,2-trifluoroethanesulfonate.
What is the SMILES notation for lithium 1,1,2-trifluoroethanesulfonate?
The canonical SMILES for lithium 1,1,2-trifluoroethanesulfonate is O=S(=O)([O-])C(F)(F)CF.[Li+].
What is the InChIKey of lithium 1,1,2-trifluoroethanesulfonate?
The InChIKey is QLWWDZMGWGAADP-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H3F3O3S.Li/c3-1-2(4,5)9(6,7)8;/h1H2,(H,6,7,8);/q;+1/p-1.
What are the key properties of lithium 1,1,2-trifluoroethanesulfonate?
lithium 1,1,2-trifluoroethanesulfonate has a molecular weight of 170.04 g/mol, XLogP of -2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,1,2-trifluoroethanesulfonate is sourced from PubChem (CID 23700454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).