lithium;difluoroborinate;2-fluoro-2-methylpropanedioic acid

C4H5BF3LiO5 — CID 174054799

IUPAClithium;difluoroborinate;2-fluoro-2-methylpropanedioic acid
SMILESCC(F)(C(=O)O)C(=O)O.[Li+].[O-]B(F)F
InChIInChI=1S/C4H5FO4.BF2O.Li/c1-4(5,2(6)7)3(8)9;2-1(3)4;/h1H3,(H,6,7)(H,8,9);;/q;-1;+1
InChIKeyQDTWRYGLKMMHHZ-UHFFFAOYSA-N
MW207.83 g/mol
LogP-3.84
Rot. Bonds2

About lithium;difluoroborinate;2-fluoro-2-methylpropanedioic acid

lithium;difluoroborinate;2-fluoro-2-methylpropanedioic acid (PubChem CID 174054799) has the molecular formula C4H5BF3LiO5 and a molecular weight of 207.83 g/mol. Its IUPAC name is lithium;difluoroborinate;2-fluoro-2-methylpropanedioic acid.

Molecular Properties

Compound Namelithium;difluoroborinate;2-fluoro-2-methylpropanedioic acid
PubChem CID174054799
Molecular FormulaC4H5BF3LiO5
Molecular Weight207.83 g/mol
Exact Mass208.03
IUPAC Namelithium;difluoroborinate;2-fluoro-2-methylpropanedioic acid
SMILESCC(F)(C(=O)O)C(=O)O.[Li+].[O-]B(F)F
InChIInChI=1S/C4H5FO4.BF2O.Li/c1-4(5,2(6)7)3(8)9;2-1(3)4;/h1H3,(H,6,7)(H,8,9);;/q;-1;+1
InChIKeyQDTWRYGLKMMHHZ-UHFFFAOYSA-N
XLogP-3.84
TPSA97.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.83
LogP ≤ 5-3.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

lithium;dihydrogen borate;bis(2-fluoro-2-methylpropanedioic acid)
CID 175720054
2-fluoro-3-fluorooxy-2-methyl-3-oxopropanoic acid
CID 150240323
sodium;acetic acid;fluoro(dioxido)borane
CID 19830556
2-fluoro-2-fluorosulfonylpropanoic acid
CID 139448801
trilithium;oxalyl difluoride;borate
CID 160974427
2-bromo-2-methylpropanoic acid
CID 159388254
3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid
CID 2736186
2,2-dimethylpropanoic acid
CID 87781698
2,2-difluoro-3-hydroxy-3-methylbutanoic acid
CID 10773173
2-methylpropan-2-amine;2,2,2-trifluoroacetic acid;hydroiodide
CID 173177783
lithium;acetic acid;2,2,2-trifluoroacetate
CID 89314712
bis(propan-2-one);2,2,2-trifluoroacetic acid
CID 175331855

Frequently Asked Questions

What is the IUPAC name of lithium;difluoroborinate;2-fluoro-2-methylpropanedioic acid?
The IUPAC name of lithium;difluoroborinate;2-fluoro-2-methylpropanedioic acid (CID 174054799) is lithium;difluoroborinate;2-fluoro-2-methylpropanedioic acid.
What is the SMILES notation for lithium;difluoroborinate;2-fluoro-2-methylpropanedioic acid?
The canonical SMILES for lithium;difluoroborinate;2-fluoro-2-methylpropanedioic acid is CC(F)(C(=O)O)C(=O)O.[Li+].[O-]B(F)F.
What is the InChIKey of lithium;difluoroborinate;2-fluoro-2-methylpropanedioic acid?
The InChIKey is QDTWRYGLKMMHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FO4.BF2O.Li/c1-4(5,2(6)7)3(8)9;2-1(3)4;/h1H3,(H,6,7)(H,8,9);;/q;-1;+1.
What are the key properties of lithium;difluoroborinate;2-fluoro-2-methylpropanedioic acid?
lithium;difluoroborinate;2-fluoro-2-methylpropanedioic acid has a molecular weight of 207.83 g/mol, XLogP of -3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;difluoroborinate;2-fluoro-2-methylpropanedioic acid is sourced from PubChem (CID 174054799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).