lithium;dihydrogen borate;bis(2-fluoro-2-methylpropanedioic acid)

C8H12BF2LiO11 — CID 175720054

IUPAClithium;dihydrogen borate;bis(2-fluoro-2-methylpropanedioic acid)
SMILESCC(F)(C(=O)O)C(=O)O.CC(F)(C(=O)O)C(=O)O.[Li+].[O-]B(O)O
InChIInChI=1S/2C4H5FO4.BH2O3.Li/c2*1-4(5,2(6)7)3(8)9;2-1(3)4;/h2*1H3,(H,6,7)(H,8,9);2-3H;/q;;-1;+1
InChIKeyMUJKXMDIZBJHGH-UHFFFAOYSA-N
MW339.92 g/mol
LogP-5.91
Rot. Bonds4

About lithium;dihydrogen borate;bis(2-fluoro-2-methylpropanedioic acid)

lithium;dihydrogen borate;bis(2-fluoro-2-methylpropanedioic acid) (PubChem CID 175720054) has the molecular formula C8H12BF2LiO11 and a molecular weight of 339.92 g/mol. Its IUPAC name is lithium;dihydrogen borate;bis(2-fluoro-2-methylpropanedioic acid).

Molecular Properties

Compound Namelithium;dihydrogen borate;bis(2-fluoro-2-methylpropanedioic acid)
PubChem CID175720054
Molecular FormulaC8H12BF2LiO11
Molecular Weight339.92 g/mol
Exact Mass340.06
IUPAC Namelithium;dihydrogen borate;bis(2-fluoro-2-methylpropanedioic acid)
SMILESCC(F)(C(=O)O)C(=O)O.CC(F)(C(=O)O)C(=O)O.[Li+].[O-]B(O)O
InChIInChI=1S/2C4H5FO4.BH2O3.Li/c2*1-4(5,2(6)7)3(8)9;2-1(3)4;/h2*1H3,(H,6,7)(H,8,9);2-3H;/q;;-1;+1
InChIKeyMUJKXMDIZBJHGH-UHFFFAOYSA-N
XLogP-5.91
TPSA212.72 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.92
LogP ≤ 5-5.91
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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;difluoroborinate;2-fluoro-2-methylpropanedioic acid
CID 174054799
lithium;2,2-difluoroacetic acid;dihydrogen borate
CID 175921044
2-fluoro-3-fluorooxy-2-methyl-3-oxopropanoic acid
CID 150240323
erbium;tris(2,2,2-trifluoroacetic acid)
CID 118855690
2-fluoro-2-fluorosulfonylpropanoic acid
CID 139448801
lithium dihydrogen borate
CID 71774814
2-bromo-2-methylpropanoic acid
CID 159388254
3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoic acid
CID 2736186
lithium;boric acid;2,2,2-trifluoroacetate
CID 159468247
boric acid;oxalic acid;2,2,2-trifluoroacetic acid
CID 172730850
potassium;benzenesulfonamide;dihydrogen borate;2,2,2-trifluoroacetic acid
CID 162013282
2,2-dimethylpropanoic acid
CID 87781698

Frequently Asked Questions

What is the IUPAC name of lithium;dihydrogen borate;bis(2-fluoro-2-methylpropanedioic acid)?
The IUPAC name of lithium;dihydrogen borate;bis(2-fluoro-2-methylpropanedioic acid) (CID 175720054) is lithium;dihydrogen borate;bis(2-fluoro-2-methylpropanedioic acid).
What is the SMILES notation for lithium;dihydrogen borate;bis(2-fluoro-2-methylpropanedioic acid)?
The canonical SMILES for lithium;dihydrogen borate;bis(2-fluoro-2-methylpropanedioic acid) is CC(F)(C(=O)O)C(=O)O.CC(F)(C(=O)O)C(=O)O.[Li+].[O-]B(O)O.
What is the InChIKey of lithium;dihydrogen borate;bis(2-fluoro-2-methylpropanedioic acid)?
The InChIKey is MUJKXMDIZBJHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H5FO4.BH2O3.Li/c2*1-4(5,2(6)7)3(8)9;2-1(3)4;/h2*1H3,(H,6,7)(H,8,9);2-3H;/q;;-1;+1.
What are the key properties of lithium;dihydrogen borate;bis(2-fluoro-2-methylpropanedioic acid)?
lithium;dihydrogen borate;bis(2-fluoro-2-methylpropanedioic acid) has a molecular weight of 339.92 g/mol, XLogP of -5.91, 4 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;dihydrogen borate;bis(2-fluoro-2-methylpropanedioic acid) is sourced from PubChem (CID 175720054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).