CAS 1803591-07-2

Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile, 5-fluoro-

Description:

Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile, 5-fluoro- is a bicyclic organic compound characterized by its unique bicyclic structure, which consists of two interconnected cyclobutane rings. The presence of a carbonitrile group (-C≡N) at the 7-position contributes to its reactivity and polarity, while the 5-fluoro substituent introduces a fluorine atom that can influence the compound's electronic properties and stability. This compound is likely to exhibit interesting chemical behavior due to the strained bicyclic framework, which can lead to distinctive reactivity patterns, particularly in electrophilic and nucleophilic reactions. Additionally, the presence of the fluorine atom may enhance its lipophilicity and alter its interaction with biological systems, making it a candidate for various applications in medicinal chemistry and materials science. Overall, the structural features of this compound suggest potential utility in synthetic organic chemistry and the development of novel chemical entities.

Formula: C₉H₆FN

InChI: InChI=1S/C9H6FN/c10-8-3-1-2-6-4-7(5-11)9(6)8/h1-3,7H,4H2

InChI key: InChIKey=ZNUIJYZSGCVSPK-UHFFFAOYSA-N

SMILES: C(#N)C1C=2C(C1)=CC=CC2F

Synonyms:

• 5-Fluorobicyclo[4.2.0]octa-1(6),2,4-triene-7-carbonitrile
• Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile, 5-fluoro-
• 5-Fluorobicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile

5-Fluorobicyclo[4.2.0]octa-1(6),2,4-triene-7-carbonitrile

CAS: 1803591-07-2

Versatile small molecule scaffold

Formula: C₉H₆FN

Purity: Min. 95%

Molecular weight: 147.15 g/mol

Ref: 3D-DXC59107