Cas no 1782375-85-2 (3-(5-chlorothiophen-2-yl)-4,4,4-trifluorobutanoic acid)

3-(5-chlorothiophen-2-yl)-4,4,4-trifluorobutanoic acid structure
1782375-85-2 structure
Product Name:3-(5-chlorothiophen-2-yl)-4,4,4-trifluorobutanoic acid
CAS No:1782375-85-2
MF:C8H6ClF3O2S
MW:258.645250797272
CID:5991143
PubChem ID:83920085
Update Time:2025-05-18

3-(5-chlorothiophen-2-yl)-4,4,4-trifluorobutanoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(5-chlorothiophen-2-yl)-4,4,4-trifluorobutanoic acid
    • EN300-1963841
    • 1782375-85-2
    • Inchi: 1S/C8H6ClF3O2S/c9-6-2-1-5(15-6)4(3-7(13)14)8(10,11)12/h1-2,4H,3H2,(H,13,14)
    • InChI Key: ZVVQGGSHYYAIKN-UHFFFAOYSA-N
    • SMILES: ClC1=CC=C(C(C(F)(F)F)CC(=O)O)S1

Computed Properties

  • Exact Mass: 257.9729128g/mol
  • Monoisotopic Mass: 257.9729128g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 247
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.3
  • Topological Polar Surface Area: 65.5?2

3-(5-chlorothiophen-2-yl)-4,4,4-trifluorobutanoic acid Pricemore >>

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Additional information on 3-(5-chlorothiophen-2-yl)-4,4,4-trifluorobutanoic acid

Comprehensive Overview of 3-(5-chlorothiophen-2-yl)-4,4,4-trifluorobutanoic acid (CAS No. 1782375-85-2)

In the realm of organic chemistry and pharmaceutical research, 3-(5-chlorothiophen-2-yl)-4,4,4-trifluorobutanoic acid (CAS No. 1782375-85-2) has garnered significant attention due to its unique structural properties and potential applications. This compound, characterized by its chlorothiophene and trifluorobutanoic acid moieties, is a subject of interest for researchers exploring novel synthetic pathways and bioactive molecules. Its molecular formula, C8H6ClF3O2S, reflects a combination of heterocyclic and fluorinated components, which are often associated with enhanced metabolic stability and bioavailability in drug design.

The chlorothiophene ring in 3-(5-chlorothiophen-2-yl)-4,4,4-trifluorobutanoic acid is a key structural feature, as thiophene derivatives are widely utilized in medicinal chemistry due to their electron-rich nature and ability to interact with biological targets. The incorporation of a trifluoromethyl group further augments the compound's lipophilicity, a critical factor in optimizing drug-like properties. Researchers are particularly intrigued by its potential role in the development of enzyme inhibitors or receptor modulators, given the growing demand for targeted therapies in diseases such as inflammation and metabolic disorders.

Recent trends in chemical research highlight a surge in inquiries about fluorinated compounds and their applications in drug discovery. A common question among scientists is how the presence of fluorine atoms influences the pharmacokinetics of molecules like 3-(5-chlorothiophen-2-yl)-4,4,4-trifluorobutanoic acid. Studies suggest that fluorination can improve membrane permeability and reduce susceptibility to oxidative degradation, making such compounds valuable candidates for further investigation. Additionally, the chlorothiophene moiety is frequently searched in the context of heterocyclic chemistry, underscoring its relevance in modern synthetic strategies.

From a synthetic perspective, the preparation of 3-(5-chlorothiophen-2-yl)-4,4,4-trifluorobutanoic acid often involves multi-step organic reactions, including cross-coupling and fluorination techniques. These methods align with the broader interest in green chemistry and sustainable synthesis, as researchers seek to minimize environmental impact while maintaining high yields. The compound's CAS No. 1782375-85-2 serves as a unique identifier in chemical databases, facilitating access to spectral data and safety information for laboratory use.

In the context of material science, derivatives of 3-(5-chlorothiophen-2-yl)-4,4,4-trifluorobutanoic acid have been explored for their potential in organic electronics, owing to the conductive properties of thiophene-based systems. This interdisciplinary appeal bridges the gap between pharmaceuticals and advanced materials, addressing user queries about multi-functional compounds. Furthermore, the compound's stability under various conditions makes it a candidate for high-throughput screening in drug development pipelines.

As the scientific community continues to explore structure-activity relationships (SAR), 3-(5-chlorothiophen-2-yl)-4,4,4-trifluorobutanoic acid remains a promising scaffold for derivatization. Its compatibility with click chemistry and other modular synthetic approaches aligns with the demand for versatile building blocks in combinatorial chemistry. For those investigating bioisosteres or prodrug design, this compound offers a compelling case study in molecular optimization.

In summary, 3-(5-chlorothiophen-2-yl)-4,4,4-trifluorobutanoic acid (CAS No. 1782375-85-2) exemplifies the intersection of innovative chemistry and practical applications. Its structural features resonate with current research priorities, including fluorine medicinal chemistry, heterocyclic synthesis, and drug-likeness optimization. By addressing frequently searched topics such as fluorinated drug candidates and thiophene derivatives, this overview aims to provide a scientifically rigorous yet accessible resource for researchers and industry professionals alike.

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