2-fluoro-5-[3-(trifluoromethyl)phenyl]benzoic acid


Chemical Name: 2-fluoro-5-[3-(trifluoromethyl)phenyl]benzoic acid
CAS Number: 926235-51-0
Product Number: AG00IH9G(AGN-PC-015PWF)
Synonyms:
MDL No:
Molecular Formula: C14H8F4O2
Molecular Weight: 284.2057

Identification/Properties


Computed Properties
Molecular Weight:
284.21g/mol
XLogP3:
4.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
284.046g/mol
Monoisotopic Mass:
284.046g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
356
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



The 4-Fluoro-3'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid is a valuable compound in chemical synthesis due to its ability to serve as a versatile building block for the creation of various organic molecules. With its unique structure containing a fluorine atom, a trifluoromethyl group, and a biphenyl backbone, this compound offers a range of opportunities for diversifying chemical structures in synthesis processes.One key application of 4-Fluoro-3'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid is in the development of pharmaceutical compounds. By utilizing this acid as a starting material or intermediate in chemical synthesis, chemists can introduce specific functional groups or modify existing molecular frameworks to enhance the biological activity or pharmacological properties of potential drug candidates. The presence of the fluoro and trifluoromethyl moieties in this compound can play a crucial role in improving the drug-likeness and metabolic stability of the final products, making it a valuable tool in medicinal chemistry research.Furthermore, the structural features of 4-Fluoro-3'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid also make it suitable for the development of advanced materials. By incorporating this acid into polymerization reactions or other material synthesis pathways, researchers can tailor the properties of resulting materials such as polymers, liquid crystals, or organic electronic components. The fluorine and trifluoromethyl groups contribute to the overall chemical and physical characteristics of the materials, imparting desirable properties such as thermal stability, hydrophobicity, or electronic conductivity.Overall, the 4-Fluoro-3'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid stands out as a valuable tool in chemical synthesis, offering opportunities for innovation and customization in the development of pharmaceuticals, materials, and other organic compounds. Its unique structure and versatile reactivity make it a versatile building block with broad applications in various fields of research and industry.