Cas no 130066-24-9 (N-[4-(Trifluoromethyl)phenyl]guanidine)

N-[4-(Trifluoromethyl)phenyl]guanidine structure
130066-24-9 structure
Product Name:N-[4-(Trifluoromethyl)phenyl]guanidine
CAS No:130066-24-9
MF:C8H8F3N3
MW:203.16443157196
MDL:MFCD10000732
CID:1011270
PubChem ID:19841587
Update Time:2025-11-01

N-[4-(Trifluoromethyl)phenyl]guanidine Chemical and Physical Properties

Names and Identifiers

    • N-(4-TRIFLUOROMETHYL-PHENYL)-GUANIDINE
    • N-[4-(Trifluoromethyl)phenyl]guanidine
    • 4-(trifluoromethyl)phenylguanidine
    • CHEMBL43961
    • CTK8G7755
    • F2158-0396
    • N'-(4-trifluoromethylphenyl)guanidine
    • phenylguanidine 2
    • p-trifluoromethylphenylguanidine
    • PubChem22164
    • SureCN6437577
    • SureCN6437580
    • BDBM16128
    • 4-(trifluoromethyl)benzene-1-guanidine
    • AMY27633
    • 1-[4-(trifluoromethyl)phenyl]guanidine
    • DTXSID70600495
    • 2-[4-(trifluoromethyl)phenyl]guanidine
    • PD129927
    • SY339561
    • IUNFWMWQNWQIFS-UHFFFAOYSA-N
    • 1-(4-(trifluoromethyl)phenyl)guanidine
    • Guanidine, N-[4-(trifluoromethyl)phenyl]-
    • EN300-238731
    • SCHEMBL6437577
    • AKOS005208022
    • 130066-24-9
    • DB-266043
    • F82305
    • MFCD10000732
    • N''-[4-(Trifluoromethyl)phenyl]guanidine
    • MDL: MFCD10000732
    • Inchi: 1S/C8H8F3N3/c9-8(10,11)5-1-3-6(4-2-5)14-7(12)13/h1-4H,(H4,12,13,14)
    • InChI Key: IUNFWMWQNWQIFS-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC(=CC=1)/N=C(\N)/N)(F)F

Computed Properties

  • Exact Mass: 203.06714
  • Monoisotopic Mass: 203.06703175g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 212
  • 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: 1.3
  • Topological Polar Surface Area: 64.4?2

Experimental Properties

  • PSA: 61.9

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Additional information on N-[4-(Trifluoromethyl)phenyl]guanidine

Introduction to N-[4-(Trifluoromethyl)phenyl]guanidine (CAS No. 130066-24-9)

N-[4-(Trifluoromethyl)phenyl]guanidine, with the chemical identifier CAS No. 130066-24-9, is a significant compound in the realm of pharmaceutical and chemical research. This compound belongs to the class of guanidine derivatives, which are widely recognized for their diverse biological activities and potential therapeutic applications. The presence of a trifluoromethyl group in its molecular structure enhances its pharmacological properties, making it a subject of intense interest in the development of novel drugs.

The trifluoromethyl group, characterized by its high electron-withdrawing nature, plays a crucial role in modulating the reactivity and binding affinity of the molecule. This feature is particularly valuable in medicinal chemistry, as it can influence the metabolic stability, lipophilicity, and overall efficacy of a drug candidate. In recent years, there has been a growing emphasis on the synthesis and characterization of fluorinated compounds due to their enhanced biological activity and resistance to metabolic degradation.

N-[4-(Trifluoromethyl)phenyl]guanidine has garnered attention in several research areas, including oncology, anti-inflammatory therapies, and antimicrobial applications. Its structural framework allows for interactions with various biological targets, making it a versatile scaffold for drug design. For instance, studies have demonstrated its potential in inhibiting certain enzymes involved in cancer cell proliferation. The compound's ability to modulate these enzymatic pathways suggests its utility as an intermediate in the synthesis of targeted therapeutics.

In the context of contemporary pharmaceutical research, N-[4-(Trifluoromethyl)phenyl]guanidine has been explored for its role in developing next-generation antiviral agents. The trifluoromethyl group's influence on electron distribution within the molecule can enhance binding interactions with viral proteases and polymerases. This has led to investigations into its efficacy against RNA viruses, including those that pose significant challenges to global health.

The synthesis of N-[4-(Trifluoromethyl)phenyl]guanidine involves sophisticated organic chemistry techniques that highlight its complexity as a molecular entity. Advanced synthetic methodologies, such as cross-coupling reactions and fluorination processes, are employed to construct its intricate structure. These synthetic strategies not only showcase the compound's structural elegance but also underscore the advancements in synthetic organic chemistry that enable the production of such complex molecules.

From a computational chemistry perspective, N-[4-(Trifluoromethyl)phenyl]guanidine has been subjected to extensive molecular modeling studies. These studies aim to elucidate its interaction mechanisms with biological targets at an atomic level. The integration of computational tools with experimental data has provided valuable insights into how modifications at the molecular level can enhance pharmacological activity. This interdisciplinary approach is pivotal in modern drug discovery efforts.

The pharmacokinetic properties of N-[4-(Trifluoromethyl)phenyl]guanidine are another area of active investigation. Understanding how this compound is absorbed, distributed, metabolized, and excreted (ADME) is crucial for optimizing its therapeutic potential. Preclinical studies have begun to explore these aspects, providing foundational data for future clinical trials. The findings from these studies will be instrumental in determining the compound's suitability for human use and identifying potential dosing regimens.

In conclusion, N-[4-(Trifluoromethyl)phenyl]guanidine (CAS No. 130066-24-9) represents a promising candidate in pharmaceutical research due to its unique structural features and diverse biological activities. The presence of the trifluoromethyl group enhances its pharmacological profile, making it an attractive scaffold for drug development. As research continues to uncover new applications and refine synthetic methodologies, this compound is poised to play a significant role in addressing unmet medical needs across various therapeutic areas.

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