lithium 1,1,2,2-tetrafluoroethanesulfonate

C2HF4LiO3S — CID 87303573

IUPAClithium 1,1,2,2-tetrafluoroethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)F.[Li+]
InChIInChI=1S/C2H2F4O3S.Li/c3-1(4)2(5,6)10(7,8)9;/h1H,(H,7,8,9);/q;+1/p-1
InChIKeyDPMHLENVWXXFOE-UHFFFAOYSA-M
MW188.03 g/mol
LogP-2.61
Rot. Bonds2

About lithium 1,1,2,2-tetrafluoroethanesulfonate

lithium 1,1,2,2-tetrafluoroethanesulfonate (PubChem CID 87303573) has the molecular formula C2HF4LiO3S and a molecular weight of 188.03 g/mol. Its IUPAC name is lithium 1,1,2,2-tetrafluoroethanesulfonate.

Molecular Properties

Compound Namelithium 1,1,2,2-tetrafluoroethanesulfonate
PubChem CID87303573
Molecular FormulaC2HF4LiO3S
Molecular Weight188.03 g/mol
Exact Mass187.97
IUPAC Namelithium 1,1,2,2-tetrafluoroethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)F.[Li+]
InChIInChI=1S/C2H2F4O3S.Li/c3-1(4)2(5,6)10(7,8)9;/h1H,(H,7,8,9);/q;+1/p-1
InChIKeyDPMHLENVWXXFOE-UHFFFAOYSA-M
XLogP-2.61
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.03
LogP ≤ 5-2.61
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'}

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Related Compounds

1,1,2,2-Tetrafluoroethanesulfonic acid
CID 10176391
Ethanesulfonic acid, 1,1,2,2-tetrafluoro-, sodium salt (1:1)
CID 87303205
Trifluoroethylsulfonylchloride
CID 19691189
1,1,2,2-Tetrafluoroethanesulfonic acid fluoride
CID 19695005
2,2-Difluoroethylenesulfonyl fluoride
CID 21344874
Fluoro 1,1,2,2,2-pentafluoroethanesulfonate
CID 17764680
Lithium;1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate
CID 18684087
1,1,2-Trifluoroethanesulfinate
CID 19800889
1,1,2,2,3-Pentafluoropropane-1-sulfonyl fluoride
CID 20749593
1,1,2,2-Tetrafluoroethane-1-sulfonate
CID 21263465
Ethanesulfonyl chloride, 1,1,2,2-tetrafluoro-
CID 21498350
1,1,2,2-Tetrafluoro-1-(trifluoromethylsulfonylsulfanyl)ethane
CID 21525370

Frequently Asked Questions

What is the IUPAC name of lithium 1,1,2,2-tetrafluoroethanesulfonate?
The IUPAC name of lithium 1,1,2,2-tetrafluoroethanesulfonate (CID 87303573) is lithium 1,1,2,2-tetrafluoroethanesulfonate.
What is the SMILES notation for lithium 1,1,2,2-tetrafluoroethanesulfonate?
The canonical SMILES for lithium 1,1,2,2-tetrafluoroethanesulfonate is O=S(=O)([O-])C(F)(F)C(F)F.[Li+].
What is the InChIKey of lithium 1,1,2,2-tetrafluoroethanesulfonate?
The InChIKey is DPMHLENVWXXFOE-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H2F4O3S.Li/c3-1(4)2(5,6)10(7,8)9;/h1H,(H,7,8,9);/q;+1/p-1.
What are the key properties of lithium 1,1,2,2-tetrafluoroethanesulfonate?
lithium 1,1,2,2-tetrafluoroethanesulfonate has a molecular weight of 188.03 g/mol, XLogP of -2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,1,2,2-tetrafluoroethanesulfonate is sourced from PubChem (CID 87303573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).