trilithium;2,2-difluoroacetic acid;oxalic acid;borate

C6H6BF2Li3O13 — CID 174747516

IUPACtrilithium;2,2-difluoroacetic acid;oxalic acid;borate
SMILESO=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(F)F.[Li+].[Li+].[Li+].[O-]B([O-])[O-]
InChIInChI=1S/C2H2F2O2.2C2H2O4.BO3.3Li/c3*3-1(4)2(5)6;2-1(3)4;;;/h1H,(H,5,6);2*(H,3,4)(H,5,6);;;;/q;;;-3;3*+1
InChIKeyWUKUPEXOFGQUQW-UHFFFAOYSA-N
MW355.73 g/mol
LogP-14.29
Rot. Bonds1

About trilithium;2,2-difluoroacetic acid;oxalic acid;borate

trilithium;2,2-difluoroacetic acid;oxalic acid;borate (PubChem CID 174747516) has the molecular formula C6H6BF2Li3O13 and a molecular weight of 355.73 g/mol. Its IUPAC name is trilithium;2,2-difluoroacetic acid;oxalic acid;borate.

Molecular Properties

Compound Nametrilithium;2,2-difluoroacetic acid;oxalic acid;borate
PubChem CID174747516
Molecular FormulaC6H6BF2Li3O13
Molecular Weight355.73 g/mol
Exact Mass356.03
IUPAC Nametrilithium;2,2-difluoroacetic acid;oxalic acid;borate
SMILESO=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(F)F.[Li+].[Li+].[Li+].[O-]B([O-])[O-]
InChIInChI=1S/C2H2F2O2.2C2H2O4.BO3.3Li/c3*3-1(4)2(5)6;2-1(3)4;;;/h1H,(H,5,6);2*(H,3,4)(H,5,6);;;;/q;;;-3;3*+1
InChIKeyWUKUPEXOFGQUQW-UHFFFAOYSA-N
XLogP-14.29
TPSA255.68 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.73
LogP ≤ 5-14.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze trilithium;2,2-difluoroacetic acid;oxalic acid;borate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

lithium;2,2-difluoroacetic acid;dihydrogen borate
CID 175921044
trilithium;oxalic acid;tris(2,3,3,3-tetrafluoropropanoic acid);borate
CID 173154493
lithium;barium(2+);oxalic acid;borate
CID 159665648
copper;2,2-difluoroacetic acid
CID 88507984
2,2-difluoroacetic acid;gallane
CID 173230413
trilithium;bis(2-oxopropanoic acid);borate
CID 175964793
trilithium;oxalyl difluoride;borate
CID 160974427
copper;hydrogen borate;oxalic acid
CID 175216569
lithium;oxalic acid;chloride
CID 175547992
lithium;2-hydroxy-2-oxoacetate;oxalic acid
CID 158730065
2-bis[carboxy(fluoro)methyl]boranyl-2-fluoroacetic acid
CID 57317427
2,2-difluoroacetic acid;prop-1-yne
CID 175526677

Frequently Asked Questions

What is the IUPAC name of trilithium;2,2-difluoroacetic acid;oxalic acid;borate?
The IUPAC name of trilithium;2,2-difluoroacetic acid;oxalic acid;borate (CID 174747516) is trilithium;2,2-difluoroacetic acid;oxalic acid;borate.
What is the SMILES notation for trilithium;2,2-difluoroacetic acid;oxalic acid;borate?
The canonical SMILES for trilithium;2,2-difluoroacetic acid;oxalic acid;borate is O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(F)F.[Li+].[Li+].[Li+].[O-]B([O-])[O-].
What is the InChIKey of trilithium;2,2-difluoroacetic acid;oxalic acid;borate?
The InChIKey is WUKUPEXOFGQUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F2O2.2C2H2O4.BO3.3Li/c3*3-1(4)2(5)6;2-1(3)4;;;/h1H,(H,5,6);2*(H,3,4)(H,5,6);;;;/q;;;-3;3*+1.
What are the key properties of trilithium;2,2-difluoroacetic acid;oxalic acid;borate?
trilithium;2,2-difluoroacetic acid;oxalic acid;borate has a molecular weight of 355.73 g/mol, XLogP of -14.29, 1 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trilithium;2,2-difluoroacetic acid;oxalic acid;borate is sourced from PubChem (CID 174747516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).