CAS 898761-21-2

7-Chloro-1-(3-chloro-4-fluorophenyl)-1-heptanone

Description:

7-Chloro-1-(3-chloro-4-fluorophenyl)-1-heptanone, with the CAS number 898761-21-2, is an organic compound characterized by its ketone functional group and a heptane backbone. This compound features a chlorine atom and a fluorine atom substituted on a phenyl ring, which contributes to its unique chemical properties. The presence of halogens, specifically chlorine and fluorine, often enhances the compound's reactivity and can influence its biological activity, making it of interest in pharmaceutical research. The heptanone structure indicates that it has a seven-carbon chain, which can affect its solubility and volatility. Typically, compounds like this may exhibit moderate to high lipophilicity due to the hydrocarbon chain, while the polar ketone group can provide some degree of hydrophilicity. The specific arrangement of substituents can also impact the compound's interaction with biological targets, making it relevant in medicinal chemistry. Overall, this compound's unique structure suggests potential applications in drug development and other chemical synthesis processes.

Formula: C₁₃H₁₅Cl₂FO

InChI: InChI=1S/C13H15Cl2FO/c14-8-4-2-1-3-5-13(17)10-6-7-12(16)11(15)9-10/h6-7,9H,1-5,8H2

InChI key: InChIKey=GMSYJPXXSNAOCG-UHFFFAOYSA-N

SMILES: C(CCCCCCCl)(=O)C1=CC(Cl)=C(F)C=C1

Synonyms:

• 1-Heptanone, 7-chloro-1-(3-chloro-4-fluorophenyl)-
• 7-Chloro-1-(3-chloro-4-fluorophenyl)-1-heptanone