Cas no 179411-84-8 (1-(3-fluorophenyl)cyclobutane-1-carboxylic acid)

1-(3-Fluorophenyl)cyclobutane-1-carboxylic acid is a fluorinated cyclobutane derivative with potential applications as an intermediate in pharmaceutical and agrochemical synthesis. The presence of the fluorine substituent on the phenyl ring enhances its reactivity and metabolic stability, making it valuable for designing bioactive compounds. The cyclobutane scaffold contributes to conformational rigidity, which can improve binding affinity in target interactions. This compound is particularly useful in medicinal chemistry for the development of novel drug candidates, owing to its balanced lipophilicity and steric properties. High purity and well-defined structural characteristics ensure reproducibility in research and industrial processes. Suitable for further functionalization, it serves as a versatile building block in organic synthesis.
1-(3-fluorophenyl)cyclobutane-1-carboxylic acid structure
179411-84-8 structure
Product Name:1-(3-fluorophenyl)cyclobutane-1-carboxylic acid
CAS No:179411-84-8
MF:C11H11FO2
MW:194.202246904373
MDL:MFCD08444832
CID:859250
PubChem ID:16228268
Update Time:2025-05-20

1-(3-fluorophenyl)cyclobutane-1-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-(3-Fluorophenyl)cyclobutanecarboxylic acid
    • 1-(3-FLUOROPHENYL)CYCLOBUTANE-1-CARBOXYLIC ACID
    • AC1Q71Z7
    • ACMC-209efl
    • ANW-22975
    • CTK7C1745
    • MolPort-002-472-304
    • SureCN2535205
    • 179411-84-8
    • CS-0196872
    • DTXSID40585508
    • AB45270
    • MFCD08444832
    • DB-290681
    • 1-(3-Fluorophenyl)cyclobutanecarboxylicacid
    • AHZJCDUFTPVPFM-UHFFFAOYSA-N
    • Z228588628
    • AKOS009113706
    • Cyclobutanecarboxylic acid, 1-(3-fluorophenyl)-
    • BS-13948
    • SCHEMBL2535205
    • J-011447
    • SY066048
    • 1-(3-fluorophenyl)cylobutanecarboxylic acid
    • EN300-28290
    • 1-(3-fluorophenyl)cyclobutane-1-carboxylic acid
    • MDL: MFCD08444832
    • Inchi: 1S/C11H11FO2/c12-9-4-1-3-8(7-9)11(10(13)14)5-2-6-11/h1,3-4,7H,2,5-6H2,(H,13,14)
    • InChI Key: AHZJCDUFTPVPFM-UHFFFAOYSA-N
    • SMILES: FC1=CC=CC(=C1)C1(C(=O)O)CCC1

Computed Properties

  • Exact Mass: 194.07400
  • Monoisotopic Mass: 194.07430775g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 235
  • 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: 2.4
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.30000
  • LogP: 2.33200

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Additional information on 1-(3-fluorophenyl)cyclobutane-1-carboxylic acid

Comprehensive Overview of 1-(3-fluorophenyl)cyclobutane-1-carboxylic acid (CAS No. 179411-84-8)

1-(3-fluorophenyl)cyclobutane-1-carboxylic acid (CAS No. 179411-84-8) is a fluorinated cyclobutane derivative with significant applications in pharmaceutical and chemical research. This compound, characterized by its cyclobutane ring and fluorophenyl moiety, has garnered attention due to its unique structural properties and potential as a building block in drug discovery. Researchers are increasingly exploring its role in the synthesis of bioactive molecules, particularly in the development of small-molecule inhibitors and proteolysis-targeting chimeras (PROTACs), which are currently trending in the field of targeted protein degradation.

The fluorine atom in the 3-fluorophenyl group enhances the compound's metabolic stability and binding affinity, making it a valuable scaffold in medicinal chemistry. Recent studies highlight its utility in optimizing pharmacokinetic properties, a topic frequently searched by professionals in drug development forums. Additionally, its carboxylic acid functionality allows for further derivatization, enabling the creation of amides, esters, and other derivatives with tailored properties. This versatility aligns with the growing demand for custom synthesis and high-value intermediates in the pharmaceutical industry.

From an analytical perspective, 1-(3-fluorophenyl)cyclobutane-1-carboxylic acid is often analyzed using HPLC, NMR, and mass spectrometry, techniques commonly queried in scientific databases. Its purity and stability under various conditions are critical for reproducibility in research, a concern frequently raised in quality control discussions. The compound's logP and solubility data are also of interest to formulators working on drug delivery systems, another hot topic in contemporary research.

In the context of green chemistry, efforts to synthesize 1-(3-fluorophenyl)cyclobutane-1-carboxylic acid via catalytic methods or flow chemistry have gained traction, reflecting the industry's shift toward sustainable practices. Searches for eco-friendly synthesis and waste reduction in organic chemistry underscore the relevance of such advancements. Furthermore, the compound's potential applications in bioconjugation and peptide modification are being explored, addressing the rising interest in chemical biology tools.

As a research chemical, 1-(3-fluorophenyl)cyclobutane-1-carboxylic acid is typically supplied with detailed certificates of analysis (CoA) and technical data sheets (TDS), ensuring compliance with regulatory standards. Its handling and storage recommendations are often searched by laboratory personnel, emphasizing the need for clear safety protocols. While not classified as hazardous, proper personal protective equipment (PPE) is advised during use, a reminder echoed in workplace safety guidelines.

The compound's role in structure-activity relationship (SAR) studies is another area of interest, particularly for researchers investigating GPCR targets or enzyme modulators. Online forums and academic platforms frequently feature discussions on optimizing lead compounds, where 1-(3-fluorophenyl)cyclobutane-1-carboxylic acid serves as a reference. Its compatibility with high-throughput screening (HTS) workflows further enhances its appeal in modern drug discovery pipelines.

In summary, 1-(3-fluorophenyl)cyclobutane-1-carboxylic acid (CAS No. 179411-84-8) is a multifaceted compound with broad applicability in pharmaceutical research, chemical synthesis, and material science. Its alignment with current trends such as targeted therapy, sustainable chemistry, and precision medicine ensures its continued relevance in scientific literature and industrial applications. Researchers and suppliers alike prioritize its availability, underscoring its importance as a high-potential intermediate in the global market.

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