Quinoline, 2-chloro-3-(trifluoromethyl)-


Chemical Name: Quinoline, 2-chloro-3-(trifluoromethyl)-
CAS Number: 25199-86-4
Product Number: AG002QV3(AGN-PC-058CRM)
Synonyms:
MDL No:
Molecular Formula: C10H5ClF3N
Molecular Weight: 231.6016

Identification/Properties


Computed Properties
Molecular Weight:
231.602g/mol
XLogP3:
4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
231.006g/mol
Monoisotopic Mass:
231.006g/mol
Topological Polar Surface Area:
12.9A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
231
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

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Chemical Structure



2-Chloro-3-(trifluoromethyl)quinoline is a versatile compound widely used in chemical synthesis. It serves as a valuable building block in the pharmaceutical and agrochemical industries due to its unique structural properties. This compound is employed in the synthesis of various biologically active molecules, including pharmaceutical drugs and crop protection agents. Its trifluoromethyl group enhances the compound's lipophilicity and metabolic stability, making it an attractive choice for designing potential drug candidates. In addition, the chloro-quinoline scaffold provides opportunities for further functionalization, allowing for the creation of diverse chemical libraries for drug discovery purposes.