CAS 112092-00-9

2-[2,2,2-Trifluoro-1-(nitromethyl)ethyl]cyclohexanone

Description:

2-[2,2,2-Trifluoro-1-(nitromethyl)ethyl]cyclohexanone, with the CAS number 112092-00-9, is a chemical compound characterized by its unique structure that includes a cyclohexanone moiety and a trifluoromethyl group. This compound features a nitromethyl substituent, which contributes to its reactivity and potential applications in organic synthesis. The presence of trifluoromethyl groups typically enhances the lipophilicity and metabolic stability of the compound, making it of interest in medicinal chemistry. The cyclohexanone ring provides a stable framework, while the nitro group can serve as a functional handle for further chemical modifications. This compound may exhibit interesting physical properties, such as solubility in organic solvents and potential volatility, depending on its molecular interactions. Its unique combination of functional groups suggests potential applications in pharmaceuticals, agrochemicals, or as an intermediate in organic synthesis. However, specific safety and handling guidelines should be observed due to the presence of the nitro group, which can pose hazards under certain conditions.

Formula: C₉H₁₂F₃NO₃

InChI: InChI=1S/C9H12F3NO3/c10-9(11,12)7(5-13(15)16)6-3-1-2-4-8(6)14/h6-7H,1-5H2

InChI key: InChIKey=OIKQDKNGGZIECX-UHFFFAOYSA-N

SMILES: C(CN(=O)=O)(C(F)(F)F)C1C(=O)CCCC1

Synonyms:

• 2-(1,1,1-Trifluoro-3-nitropropan-2-yl)cyclohexan-1-one
• 2-(1-Trifluoromethyl-2-nitroethyl)cyclohexanone
• 2-[2,2,2-Trifluoro-1-(nitromethyl)ethyl]cyclohexanone
• Cyclohexanone, 2-[2,2,2-trifluoro-1-(nitromethyl)ethyl]-