Cas no 383-56-2 (1,1,1-Trifluoropentan-2-one)

1,1,1-Trifluoropentan-2-one is a fluorinated ketone with the molecular formula C?H?F?O. This compound is characterized by its trifluoromethyl group, which enhances its reactivity and stability in synthetic applications. It serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The presence of fluorine atoms imparts unique electronic and steric properties, making it valuable for introducing trifluoromethyl groups into target molecules. Its relatively low boiling point and moderate solubility in common organic solvents facilitate handling in laboratory and industrial settings. The compound’s structural features also contribute to its utility in fluorination reactions and as a building block for more complex fluorinated derivatives.
1,1,1-Trifluoropentan-2-one structure
1,1,1-Trifluoropentan-2-one structure
Product Name:1,1,1-Trifluoropentan-2-one
CAS No:383-56-2
MF:C5H7F3O
MW:140.103692293167
CID:322703
PubChem ID:238397
Update Time:2025-06-29

1,1,1-Trifluoropentan-2-one Chemical and Physical Properties

Names and Identifiers

    • 1,1,1-Trifluoropentan-2-one
    • 2-Pentanone,1,1,1-trifluoro-
    • 1,1,1-Trifluor-2-pentanon
    • 1,1,1-trifluoro-2-pentanone
    • 1,1,1-Trifluoro-pentan-2-one
    • 1,1,1-Trifluor-pentan-2-on
    • 1,1,1-Trifluor-pentanon-2
    • AC1L60W8
    • AC1Q4I4K
    • CTK4H9820
    • NSC42734
    • Trifluormethyl-propyl-keton
    • NSC 42734
    • 383-56-2
    • AS-49967
    • EN300-175683
    • AMY6876
    • NOKZRKZHFDRIOJ-UHFFFAOYSA-N
    • NSC-42734
    • NSIBNTCUIYNAHG-UHFFFAOYSA-N
    • DTXSID80285752
    • SCHEMBL810081
    • AKOS012259359
    • O10330
    • MDL: MFCD08275466
    • Inchi: 1S/C5H7F3O/c1-2-3-4(9)5(6,7)8/h2-3H2,1H3
    • InChI Key: NOKZRKZHFDRIOJ-UHFFFAOYSA-N
    • SMILES: FC(C(CCC)=O)(F)F

Computed Properties

  • Exact Mass: 140.04491
  • Monoisotopic Mass: 140.045
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 3
  • Complexity: 105
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: 140.10
  • XLogP3: 1.9
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • Density: 1.124
  • Melting Point: 68 oC
  • Boiling Point: 90 oC
  • Flash Point: 12.5±17.4 oC,
  • Refractive Index: 1.3485 (589.3 nm 19 oC)
  • Solubility: Slightly soluble (9.4 g/l) (25 o C),
  • PSA: 17.07
  • LogP: 1.91790

1,1,1-Trifluoropentan-2-one Pricemore >>

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Additional information on 1,1,1-Trifluoropentan-2-one

1,1,1-Trifluoropentan-2-one: A Comprehensive Overview

1,1,1-Trifluoropentan-2-one, also known by its CAS registry number 383-56-2, is a fluorinated ketone compound that has garnered significant attention in recent years due to its unique chemical properties and potential applications in various fields. This molecule, characterized by the presence of three fluorine atoms attached to the first carbon of a pentan-2-one backbone, exhibits distinct physicochemical characteristics that make it valuable in research and industrial settings.

Fluorinated compounds have long been recognized for their ability to impart remarkable stability and reactivity to molecules. The trifluoromethyl group (-CF3) in 1,1,1-Trifluoropentan-2-one contributes to its high chemical inertness and thermal stability, properties that are highly sought after in pharmaceuticals, agrochemicals, and materials science. Recent studies have highlighted the potential of this compound in drug discovery, particularly in the development of keto-containing drugs with enhanced bioavailability and pharmacokinetics.

The molecular structure of 1,1,1-Trifluoropentan-2-one comprises a pentane backbone where the second carbon is carbonyl-functionalized, forming a ketone group. The trifluoromethyl substituents at the first carbon not only enhance the molecule's stability but also influence its solubility and lipophilicity. These properties are crucial in determining the pharmacokinetics of drugs, including absorption, distribution, metabolism, and excretion (ADME) profiles.

Recent advancements in medicinal chemistry have demonstrated the utility of fluorinated ketones in designing potent and selective kinase inhibitors. For instance, the use of trifluoromethyl groups in drug molecules has been shown to increase their resistance to hydrolytic cleavage, thereby improving their metabolic stability. This attribute is particularly valuable in the development of small-molecule drugs targeting enzymes involved in disease pathways.

Beyond its role in pharmaceuticals, 1,1,1-Trifluoropentan-2-one has also found applications in materials science. Its unique electronic and steric properties make it a suitable candidate for the synthesis of advanced materials, such as fluorinated polymers and surfactants. The compound's ability to form stable emulsions and its low surface tension have made it a subject of interest in formulations for cosmetics and personal care products.

Research into the environmental impact of fluorinated compounds has also gained momentum. While the persistence and bioaccumulation of some fluorinated chemicals have raised concerns, 1,1,1-Trifluoropentan-2-one appears to exhibit favorable environmental profiles due to its rapid degradation under certain conditions. This makes it a more sustainable choice compared to some other fluorinated compounds.

In summary, 1,1,1-Trifluoropentan-2-one (CAS NO 383-56-2) is a versatile compound with a wide range of applications in pharmaceuticals, materials science, and beyond. Its unique combination of physicochemical properties makes it an invaluable tool for researchers seeking to develop innovative solutions in these fields.

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