lithium;difluoroborinate;methanedisulfonic acid

CH4BF2LiO7S2 — CID 175553813

IUPAClithium;difluoroborinate;methanedisulfonic acid
SMILESO=S(=O)(O)CS(=O)(=O)O.[Li+].[O-]B(F)F
InChIInChI=1S/CH4O6S2.BF2O.Li/c2-8(3,4)1-9(5,6)7;2-1(3)4;/h1H2,(H,2,3,4)(H,5,6,7);;/q;-1;+1
InChIKeyCLSYZPANLWBCOP-UHFFFAOYSA-N
MW247.92 g/mol
LogP-5.01
Rot. Bonds2

About lithium;difluoroborinate;methanedisulfonic acid

lithium;difluoroborinate;methanedisulfonic acid (PubChem CID 175553813) has the molecular formula CH4BF2LiO7S2 and a molecular weight of 247.92 g/mol. Its IUPAC name is lithium;difluoroborinate;methanedisulfonic acid.

Molecular Properties

Compound Namelithium;difluoroborinate;methanedisulfonic acid
PubChem CID175553813
Molecular FormulaCH4BF2LiO7S2
Molecular Weight247.92 g/mol
Exact Mass247.96
IUPAC Namelithium;difluoroborinate;methanedisulfonic acid
SMILESO=S(=O)(O)CS(=O)(=O)O.[Li+].[O-]B(F)F
InChIInChI=1S/CH4O6S2.BF2O.Li/c2-8(3,4)1-9(5,6)7;2-1(3)4;/h1H2,(H,2,3,4)(H,5,6,7);;/q;-1;+1
InChIKeyCLSYZPANLWBCOP-UHFFFAOYSA-N
XLogP-5.01
TPSA131.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.92
LogP ≤ 5-5.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

barium(2+);methanedisulfonic acid
CID 54611525
CID 131856458
CID 131856458
copper;methanedisulfonic acid
CID 88584534
magnesium;sodium;hydride;methanedisulfonic acid
CID 174744552
methane;methanedisulfonic acid;methanedisulfonyl chloride;hydrate
CID 160572260
trilithium;oxalyl difluoride;borate
CID 160974427
dodecalithium;hexakis(fluoro(dioxido)borane)
CID 158162682
(barium(2+));sulfuric acid
CID 173434226
sulfomethylsulfonylformic acid
CID 90953311
2-fluoroprop-2-ene-1-sulfonic acid
CID 87155261
octane-1,8-disulfonic acid
CID 18172926
hydroxymethanesulfonic acid
CID 6411

Frequently Asked Questions

What is the IUPAC name of lithium;difluoroborinate;methanedisulfonic acid?
The IUPAC name of lithium;difluoroborinate;methanedisulfonic acid (CID 175553813) is lithium;difluoroborinate;methanedisulfonic acid.
What is the SMILES notation for lithium;difluoroborinate;methanedisulfonic acid?
The canonical SMILES for lithium;difluoroborinate;methanedisulfonic acid is O=S(=O)(O)CS(=O)(=O)O.[Li+].[O-]B(F)F.
What is the InChIKey of lithium;difluoroborinate;methanedisulfonic acid?
The InChIKey is CLSYZPANLWBCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O6S2.BF2O.Li/c2-8(3,4)1-9(5,6)7;2-1(3)4;/h1H2,(H,2,3,4)(H,5,6,7);;/q;-1;+1.
What are the key properties of lithium;difluoroborinate;methanedisulfonic acid?
lithium;difluoroborinate;methanedisulfonic acid has a molecular weight of 247.92 g/mol, XLogP of -5.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;difluoroborinate;methanedisulfonic acid is sourced from PubChem (CID 175553813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).