Description

1-[5-(1,1,2,2,3,3,3-Heptafluoropropyl)-3-(trifluoromethyl)pyrazol-1-yl]ethanone (CAS No. 229980-60-3) is a high-purity fluorinated pyrazole derivative with the molecular formula C₉H₄F₁₀N₂O. This specialized compound features a unique heptafluoropropyl and trifluoromethyl substitution pattern, making it an ideal intermediate for advanced organic synthesis, pharmaceutical research, and agrochemical development. Its high fluorine content enhances lipophilicity and metabolic stability, making it valuable for designing bioactive molecules. Available in research quantities, this product is rigorously tested for quality and consistency, ensuring reliable performance in demanding applications. Store in a cool, dry place under inert conditions to maintain stability.

Properties

• CAS Number: 229980-60-3
• Complexity: 443
• IUPAC Name: 1-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)pyrazol-1-yl]ethanone
• InChI: InChI=1S/C9H4F10N2O/c1-3(22)21-5(2-4(20-21)7(12,13)14)6(10,11)8(15,16)9(17,18)19/h2H,1H3
• InChI Key: QKHAUEMBHMCVLI-UHFFFAOYSA-N
• Exact Mass: 346.01639438
• Molecular Formula: C9H4F10N2O
• Molecular Weight: 346.12
• SMILES: CC(=O)N1C(=CC(=N1)C(F)(F)F)C(C(C(F)(F)F)(F)F)(F)F
• Topological: 34.9
• Monoisotopic Mass: 346.01639438
• Synonyms: 229980-60-3, 1-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)pyrazol-1-yl]ethanone, 1-Acetyl-5-(heptafluoropropyl)-3-(trifluoromethyl)-1H-pyrazole, 1-Acetyl-5(3)-heptafluoropropyl-3(5)-(trifluoromethyl)pyrazole, AKOS025213714

Application

This fluorinated pyrazole derivative serves as a versatile building block in medicinal chemistry for the synthesis of novel drug candidates, particularly in CNS and anti-inflammatory research. It is also used in agrochemical development to create fluorinated pesticides with improved environmental persistence. Additionally, its unique structure makes it suitable for materials science applications, such as liquid crystals or specialty polymers.

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