Cas no 121629-16-1 (1-(4,4-difluorocyclohexyl)ethan-1-one)

1-(4,4-Difluorocyclohexyl)ethan-1-one is a fluorinated cyclohexyl ketone derivative with notable stability and reactivity, making it a valuable intermediate in organic synthesis. The presence of two fluorine atoms at the 4-position of the cyclohexyl ring enhances its electronic and steric properties, facilitating selective transformations in pharmaceutical and agrochemical applications. Its rigid cyclohexyl backbone contributes to improved metabolic stability in drug development. The ketone functionality allows for further derivatization, including reductions or nucleophilic additions, enabling the synthesis of diverse scaffolds. This compound is particularly useful in the preparation of fluorinated analogs, where the difluorocyclohexyl moiety can influence bioavailability and binding affinity. High purity and consistent quality ensure reliable performance in research and industrial processes.
1-(4,4-difluorocyclohexyl)ethan-1-one structure
121629-16-1 structure
Product Name:1-(4,4-difluorocyclohexyl)ethan-1-one
CAS No:121629-16-1
MF:C8H12F2O
MW:162.177089691162
MDL:MFCD20257861
CID:133380
PubChem ID:14365663
Update Time:2025-05-19

1-(4,4-difluorocyclohexyl)ethan-1-one Chemical and Physical Properties

Names and Identifiers

    • Ethanone, 1-(4,4-difluorocyclohexyl)- (9CI)
    • 1-(4,4-difluorocyclohexyl)ethanone
    • 1-(4,4-difluorocyclohexyl)ethan-1-one
    • F8888-2339
    • MFCD20257861
    • AS-43375
    • Ethanone, 1-(4,4-difluorocyclohexyl)-
    • 121629-16-1
    • 1-(4,4-DIFLUOROCYCLOHEXYL)-ETHANONE
    • DTXSID00559427
    • AKOS017581178
    • AB76362
    • EN300-174038
    • 1-(4,4-difluoro-cyclohexyl)-ethanone
    • CS-0455308
    • 1-(4,4-difluorocyclohexyl) ethanone
    • SCHEMBL1661736
    • DS-020075
    • MDL: MFCD20257861
    • Inchi: 1S/C8H12F2O/c1-6(11)7-2-4-8(9,10)5-3-7/h7H,2-5H2,1H3
    • InChI Key: GVQZGQHEAPUDEL-UHFFFAOYSA-N
    • SMILES: FC1(CCC(C(C)=O)CC1)F

Computed Properties

  • Exact Mass: 162.08566
  • Monoisotopic Mass: 162.08562133g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 156
  • 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: 1.8
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07

1-(4,4-difluorocyclohexyl)ethan-1-one Pricemore >>

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abcr
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1-(4,4-difluorocyclohexyl)ethan-1-one Related Literature

Additional information on 1-(4,4-difluorocyclohexyl)ethan-1-one

Introduction to CAS No. 121629-16-1: 1-(4,4-Difluorocyclohexyl)ethan-1-one

CAS No. 121629-16-1, also known as 1-(4,4-difluorocyclohexyl)ethan-1-one, is a fluorinated cyclohexane derivative with a ketone functional group. This compound has garnered significant attention in recent years due to its unique chemical properties and potential applications in various fields, including pharmaceuticals, agrochemicals, and materials science. The molecule's structure, featuring a fluorinated cyclohexane ring and a ketone group, contributes to its versatility and reactivity in chemical reactions.

The synthesis of CAS No. 121629-16-1 typically involves multi-step processes that require precise control over reaction conditions to achieve high yields and purity. Recent advancements in catalytic methods have enabled more efficient syntheses of this compound, making it more accessible for research and industrial applications. The fluorination of the cyclohexane ring is particularly important, as it imparts unique electronic and steric properties to the molecule, enhancing its reactivity in subsequent reactions.

One of the most promising applications of CAS No. 121629-16-1 lies in its use as an intermediate in the synthesis of bioactive compounds. Researchers have explored its role in the development of novel drugs targeting various diseases, including cancer and neurodegenerative disorders. The ketone group in CAS No. 121629-16-1 serves as a reactive site for further functionalization, allowing chemists to attach bioactive moieties that can modulate cellular pathways.

Recent studies have also highlighted the potential of CAS No. 121629-16- in materials science, particularly in the development of advanced polymers and coatings. The fluorinated cyclohexane ring provides excellent thermal stability and resistance to environmental factors, making this compound a valuable building block for high-performance materials.

In terms of environmental impact, CAS No. 12 has been studied for its biodegradation properties under various conditions. Researchers have found that while the compound exhibits moderate biodegradability, its fluorinated nature may pose challenges in certain ecosystems. Ongoing studies aim to optimize its degradation pathways to minimize environmental risks associated with its use.

The growing interest in CAS No. 8888888888 has led to increased demand for detailed characterization of its physical and chemical properties. Advanced analytical techniques such as NMR spectroscopy and mass spectrometry have been employed to study its structure and reactivity at a molecular level.

In conclusion, CAS No. 8888888888, or Compound X, represents a versatile and valuable compound with wide-ranging applications across multiple industries. Its unique structure and reactivity make it an essential component in modern chemical research and development.

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