Cas no 240122-22-9 (3-Chloro-2-(trifluoromethyl)-2-iodo-1,1,1-trifluoropropane)

3-Chloro-2-(trifluoromethyl)-2-iodo-1,1,1-trifluoropropane structure
240122-22-9 structure
Product Name:3-Chloro-2-(trifluoromethyl)-2-iodo-1,1,1-trifluoropropane
CAS No:240122-22-9
MF:C4H2ClF6I
MW:326.40657377243
CID:253750
PubChem ID:2773794
Update Time:2025-11-02

3-Chloro-2-(trifluoromethyl)-2-iodo-1,1,1-trifluoropropane Chemical and Physical Properties

Names and Identifiers

    • Propane,2-(chloromethyl)-1,1,1,3,3,3-hexafluoro-2-iodo-
    • 3-CHLORO-2-(TRIFLUOROMETHYL)-2-IODO-1,1,1-TRIFLUOROPROPANE
    • 2-(chloromethyl)-1,1,1,3,3,3-hexafluoro-2-iodopropane
    • MFCD02093304
    • 2-(chloromethyl)-1, 1, 1, 3, 3, 3-hexafluoro-2-iodopropane
    • Propane, 2-(chloromethyl)-1,1,1,3,3,3-hexafluoro-2-iodo-
    • 240122-22-9
    • 3-chloro-1,1,1-trifluoro-2-iodo-2-(trifluoromethyl)propane
    • AKOS015850581
    • CS-0336272
    • DTXSID00378716
    • 1-(3-METHOXY-PHENYL)-5-OXO-PYRROLIDINE-3-CARBOXYLICACID
    • 3-Chloro-2-iodo-2-(trifluoromethyl)-1,1,1-trifluoropropane
    • FT-0676166
    • 3-Chloro-2-(trifluoromethyl)-2-iodo-1,1,1-trifluoropropane
    • MDL: MFCD02093304
    • Inchi: 1S/C4H2ClF6I/c5-1-2(12,3(6,7)8)4(9,10)11/h1H2
    • InChI Key: QZSSUYHNDADQHZ-UHFFFAOYSA-N
    • SMILES: IC(CCl)(C(F)(F)F)C(F)(F)F

Computed Properties

  • Exact Mass: 325.87900
  • Monoisotopic Mass: 325.87939g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 146
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.9
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Boiling Point: 124-125°C
  • PSA: 0.00000
  • LogP: 3.52360

3-Chloro-2-(trifluoromethyl)-2-iodo-1,1,1-trifluoropropane Security Information

3-Chloro-2-(trifluoromethyl)-2-iodo-1,1,1-trifluoropropane Pricemore >>

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Additional information on 3-Chloro-2-(trifluoromethyl)-2-iodo-1,1,1-trifluoropropane

Professional Introduction to 3-Chloro-2-(trifluoromethyl)-2-iodo-1,1,1-trifluoropropane (CAS No. 240122-22-9)

3-Chloro-2-(trifluoromethyl)-2-iodo-1,1,1-trifluoropropane (CAS No. 240122-22-9) is a highly specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and materials science. This compound, characterized by its unique structural features, plays a crucial role in the synthesis of various high-value chemicals and is particularly relevant in the development of novel therapeutic agents.

The molecular structure of 3-Chloro-2-(trifluoromethyl)-2-iodo-1,1,1-trifluoropropane consists of a propane backbone substituted with chlorine, iodine, and a trifluoromethyl group. The presence of these functional groups makes it an exceptionally versatile intermediate in organic synthesis. The trifluoromethyl group, in particular, is known for its ability to enhance the metabolic stability and lipophilicity of molecules, which are critical factors in drug design.

In recent years, there has been a surge in research focused on the applications of fluorinated compounds in pharmaceuticals. The trifluoromethyl group has been extensively studied for its role in improving the pharmacokinetic properties of drugs. For instance, studies have demonstrated that the incorporation of trifluoromethyl groups into drug molecules can lead to increased binding affinity and prolonged half-life. This has made compounds like 3-Chloro-2-(trifluoromethyl)-2-iodo-1,1,1-trifluoropropane invaluable in the synthesis of next-generation therapeutics.

The iodine substituent in 3-Chloro-2-(trifluoromethyl)-2-iodo-1,1,1-trifluoropropane also contributes to its utility as a synthetic intermediate. Iodine is a versatile atom that can participate in various cross-coupling reactions, such as Suzuki-Miyaura and Stille couplings. These reactions are fundamental in constructing complex molecular architectures and have been widely used in the synthesis of biologically active compounds. The reactivity of the iodine atom makes this compound a valuable building block for medicinal chemists.

One of the most notable applications of 3-Chloro-2-(trifluoromethyl)-2-iodo-1,1,1-trifluoropropane is in the synthesis of fluorinated heterocycles. Heterocyclic compounds are a major class of pharmaceuticals and play a pivotal role in treating various diseases. The ability to introduce fluorine atoms into these heterocycles can significantly alter their biological activity. Recent research has shown that fluorinated heterocycles exhibit enhanced efficacy and reduced toxicity compared to their non-fluorinated counterparts. This has spurred interest in developing new methods for incorporating fluorine into heterocyclic frameworks.

The chlorine atom in 3-Chloro-2-(trifluoromethyl)-2-iodo-1,1,1-trifluoropropane further enhances its synthetic utility. Chlorine can be readily introduced or removed through various chemical transformations, making it an ideal candidate for late-stage functionalization. This flexibility allows chemists to tailor the properties of their target molecules with precision. For example, palladium-catalyzed cross-coupling reactions involving chlorine-containing intermediates have enabled the synthesis of complex drug candidates with high yields and selectivity.

Recent advancements in flow chemistry have also highlighted the importance of 3-Chloro-2-(trifluoromethyl)-2-iodo-1,1,1-trifluoropropane as a key intermediate. Flow chemistry offers several advantages over traditional batch processing, including improved safety, scalability, and reproducibility. By integrating this compound into flow systems, researchers can achieve more efficient and sustainable synthetic routes. This approach aligns with the growing emphasis on green chemistry principles in pharmaceutical manufacturing.

The impact of 3-Chloro-2-(trifluoromethyl)-2-iodo-1,1,1-trifluoropropane extends beyond academic research. Industrial applications have emerged where this compound is used to produce high-value chemicals for various industries. Its role in synthesizing agrochemicals and specialty materials underscores its broad utility beyond pharmaceuticals. The demand for fluorinated compounds continues to rise as industries seek innovative solutions to complex challenges.

In conclusion, 3-Chloro-2-(trifluoromethyl)-2-iodo-1,1,1-trifluoropropane (CAS No. 240122-22-9) is a multifaceted compound with significant implications in pharmaceutical chemistry and materials science. Its unique structural features make it an indispensable tool for synthetic chemists working on cutting-edge drug development and advanced materials. As research progresses,the applications of this compound are expected to expand further,driven by ongoing discoveries and technological advancements.

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