lithium;2-fluorobenzenesulfonate;trifluoroborane

C6H4BF4LiO3S — CID 160988464

IUPAClithium;2-fluorobenzenesulfonate;trifluoroborane
SMILESFB(F)F.O=S(=O)([O-])c1ccccc1F.[Li+]
InChIInChI=1S/C6H5FO3S.BF3.Li/c7-5-3-1-2-4-6(5)11(8,9)10;2-1(3)4;/h1-4H,(H,8,9,10);;/q;;+1/p-1
InChIKeyIIJIIESJOLTQMU-UHFFFAOYSA-M
MW249.91 g/mol
LogP-1.39
Rot. Bonds1

About lithium;2-fluorobenzenesulfonate;trifluoroborane

lithium;2-fluorobenzenesulfonate;trifluoroborane (PubChem CID 160988464) has the molecular formula C6H4BF4LiO3S and a molecular weight of 249.91 g/mol. Its IUPAC name is lithium;2-fluorobenzenesulfonate;trifluoroborane.

Molecular Properties

Compound Namelithium;2-fluorobenzenesulfonate;trifluoroborane
PubChem CID160988464
Molecular FormulaC6H4BF4LiO3S
Molecular Weight249.91 g/mol
Exact Mass250.01
IUPAC Namelithium;2-fluorobenzenesulfonate;trifluoroborane
SMILESFB(F)F.O=S(=O)([O-])c1ccccc1F.[Li+]
InChIInChI=1S/C6H5FO3S.BF3.Li/c7-5-3-1-2-4-6(5)11(8,9)10;2-1(3)4;/h1-4H,(H,8,9,10);;/q;;+1/p-1
InChIKeyIIJIIESJOLTQMU-UHFFFAOYSA-M
XLogP-1.39
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.91
LogP ≤ 5-1.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium;2-fluorobenzenesulfonate;trifluoroborane?
The IUPAC name of lithium;2-fluorobenzenesulfonate;trifluoroborane (CID 160988464) is lithium;2-fluorobenzenesulfonate;trifluoroborane.
What is the SMILES notation for lithium;2-fluorobenzenesulfonate;trifluoroborane?
The canonical SMILES for lithium;2-fluorobenzenesulfonate;trifluoroborane is FB(F)F.O=S(=O)([O-])c1ccccc1F.[Li+].
What is the InChIKey of lithium;2-fluorobenzenesulfonate;trifluoroborane?
The InChIKey is IIJIIESJOLTQMU-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5FO3S.BF3.Li/c7-5-3-1-2-4-6(5)11(8,9)10;2-1(3)4;/h1-4H,(H,8,9,10);;/q;;+1/p-1.
What are the key properties of lithium;2-fluorobenzenesulfonate;trifluoroborane?
lithium;2-fluorobenzenesulfonate;trifluoroborane has a molecular weight of 249.91 g/mol, XLogP of -1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-fluorobenzenesulfonate;trifluoroborane is sourced from PubChem (CID 160988464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).