lithium;methanesulfonate;trifluoroborane

CH3BF3LiO3S — CID 172736333

IUPAClithium;methanesulfonate;trifluoroborane
SMILESCS(=O)(=O)[O-].FB(F)F.[Li+]
InChIInChI=1S/CH4O3S.BF3.Li/c1-5(2,3)4;2-1(3)4;/h1H3,(H,2,3,4);;/q;;+1/p-1
InChIKeyIMKBXGRAQOWAFU-UHFFFAOYSA-M
MW169.85 g/mol
LogP-2.95
Rot. Bonds

About lithium;methanesulfonate;trifluoroborane

lithium;methanesulfonate;trifluoroborane (PubChem CID 172736333) has the molecular formula CH3BF3LiO3S and a molecular weight of 169.85 g/mol. Its IUPAC name is lithium;methanesulfonate;trifluoroborane.

Molecular Properties

Compound Namelithium;methanesulfonate;trifluoroborane
PubChem CID172736333
Molecular FormulaCH3BF3LiO3S
Molecular Weight169.85 g/mol
Exact Mass170.00
IUPAC Namelithium;methanesulfonate;trifluoroborane
SMILESCS(=O)(=O)[O-].FB(F)F.[Li+]
InChIInChI=1S/CH4O3S.BF3.Li/c1-5(2,3)4;2-1(3)4;/h1H3,(H,2,3,4);;/q;;+1/p-1
InChIKeyIMKBXGRAQOWAFU-UHFFFAOYSA-M
XLogP-2.95
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.85
LogP ≤ 5-2.95
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of lithium;methanesulfonate;trifluoroborane?
The IUPAC name of lithium;methanesulfonate;trifluoroborane (CID 172736333) is lithium;methanesulfonate;trifluoroborane.
What is the SMILES notation for lithium;methanesulfonate;trifluoroborane?
The canonical SMILES for lithium;methanesulfonate;trifluoroborane is CS(=O)(=O)[O-].FB(F)F.[Li+].
What is the InChIKey of lithium;methanesulfonate;trifluoroborane?
The InChIKey is IMKBXGRAQOWAFU-UHFFFAOYSA-M. The full InChI is InChI=1S/CH4O3S.BF3.Li/c1-5(2,3)4;2-1(3)4;/h1H3,(H,2,3,4);;/q;;+1/p-1.
What are the key properties of lithium;methanesulfonate;trifluoroborane?
lithium;methanesulfonate;trifluoroborane has a molecular weight of 169.85 g/mol, XLogP of -2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;methanesulfonate;trifluoroborane is sourced from PubChem (CID 172736333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).