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4'-Fluorocannabidiol (4'-F-CBD)

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Identification
Molecular formula
C20H28FNO
CAS number
7331-52-4
IUPAC name
1-(4-fluorophenyl)-4-(9-methyl-3-azaspiro[5.5]undecan-3-yl)butan-1-one
State
State

At room temperature, this compound is typically in a solid state, specifically a crystalline solid.

Melting point (Celsius)
129.50
Melting point (Kelvin)
402.60
Boiling point (Celsius)
482.50
Boiling point (Kelvin)
755.70
General information
Molecular weight
327.41g/mol
Molar mass
327.4090g/mol
Density
1.2031g/cm3
Appearence

The compound appears as a white to off-white crystalline solid. It is typically odorless and is used primarily in research settings.

Comment on solubility

Solubility of 1-(4-fluorophenyl)-4-(9-methyl-3-azaspiro[5.5]undecan-3-yl)butan-1-one

The compound 1-(4-fluorophenyl)-4-(9-methyl-3-azaspiro[5.5]undecan-3-yl)butan-1-one, with the chemical formula C20H28FNO, presents an intriguing case in terms of solubility. Understanding the solubility characteristics of this compound is essential for its application in various fields, as it can significantly influence its bioavailability and reactivity.

Factors Affecting Solubility

The solubility of compounds like this one can be influenced by several factors:

  • Molecular Size: With a relatively large molecular structure, solubility might be limited in polar solvents.
  • Polarity: The presence of fluorine and nitrogen atoms suggests that this compound may exhibit polar characteristics, enhancing solubility in polar solvents.
  • Hydrophobic vs. Hydrophilic Balance: The balance between hydrophobic hydrocarbon chains and hydrophilic functional groups will dictate solubility in aqueous environments.

Expected Solubility Behavior

Given these considerations, it is likely that:

  • The compound may have moderate solubility in organic solvents, such as ethanol and dichloromethane.
  • It may exhibit poor solubility in water due to its hydrophobic nature from the long carbon chain.
  • Interactions with potential solubility enhancers (like surfactants) may improve solubility profiles for pharmaceutical applications.

In conclusion, while the solubility of 1-(4-fluorophenyl)-4-(9-methyl-3-azaspiro[5.5]undecan-3-yl)butan-1-one is complex, understanding its solubility behavior is crucial for effective application in various scientific and industrial fields.

Interesting facts

Interesting Facts about 1-(4-Fluorophenyl)-4-(9-methyl-3-azaspiro[5.5]undecan-3-yl)butan-1-one

This compound is a fascinating example of a complex organic molecule that exhibits unique structural features and potential applications in various fields, particularly in medicinal chemistry. Here are some key insights into its characteristics and relevance:

  • Structural Complexity: The compound comprises a spirocyclic structure, which is a type of organic compound featuring two or more rings that share a single atom. In this case, it contains a 9-methyl-3-azaspiro[5.5]undecane framework, adding to its complexity and distinguishing it from simpler compounds.
  • Substituent Importance: The presence of the 4-fluorophenyl group provides interesting electronic properties and may influence the compound's biological activity. Fluorine substitution is often associated with enhanced bioavailability and altered pharmacodynamics.
  • Research Potential: Compounds with similar structures have been studied for their potential therapeutic effects. Research in this area suggests that such molecules can interact with various biological targets, making them significant in the development of new medications.
  • Chirality and Isomerism: Given the presence of multiple chiral centers in the molecule, this compound can exist in different stereoisomeric forms, which may have varying biological activities. The exploration of its stereochemistry is crucial for understanding its potential uses.
  • Applications in Drug Design: The intricate design of this molecule positions it well for further investigation in drug discovery, particularly in the fields of psychoactive medications and other therapeutic agents.

In summary, 1-(4-fluorophenyl)-4-(9-methyl-3-azaspiro[5.5]undecan-3-yl)butan-1-one is not just a chemical entity but a potential key player in advancing our understanding of complex organic chemistry and its applications in developing novel therapeutics. As scientists delve deeper into its properties, we can anticipate exciting discoveries that could emerge from this compound.