1H-Inden-1-one, 4,7-difluoro-2,3-dihydro-


Chemical Name: 1H-Inden-1-one, 4,7-difluoro-2,3-dihydro-
CAS Number: 130408-16-1
Product Number: AG000UDC(AGN-PC-0JTD1H)
Synonyms:
MDL No:
Molecular Formula: C9H6F2O
Molecular Weight: 168.1401

Identification/Properties


Computed Properties
Molecular Weight:
168.143g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
168.039g/mol
Monoisotopic Mass:
168.039g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
205
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



4,7-Difluoroindan-1-one, also known as $name$, is a versatile compound widely used in chemical synthesis. Its unique structure and reactivity make it a valuable building block in the production of various pharmaceuticals, agrochemicals, and materials.In organic synthesis, 4,7-Difluoroindan-1-one serves as a key intermediate in the preparation of biologically active compounds. Its fluoro-substituted indan ring system provides favorable electronic properties, making it a valuable moiety for designing new drugs with enhanced pharmacological activities. The presence of two fluorine atoms at specific positions in the molecule can improve the compound's stability, lipophilicity, and binding affinity to biological targets.Furthermore, 4,7-Difluoroindan-1-one can undergo various chemical transformations, such as nucleophilic addition, acylation, and reduction, to introduce different functional groups onto its structure. This flexibility allows synthetic chemists to modify the compound's properties and tailor it for specific applications. Whether it is used as a starting material for complex molecule assembly or as a key intermediate in a multistep synthesis route, 4,7-Difluoroindan-1-one has proven to be a valuable tool in the toolbox of modern organic chemists.Overall, the application of 4,7-Difluoroindan-1-one in chemical synthesis offers a diverse range of possibilities for creating novel compounds with potential applications in drug discovery, material science, and other industries.