Diethyl 3,3-difluoropentanedioate


Chemical Name: Diethyl 3,3-difluoropentanedioate
CAS Number: 2710-66-9
Product Number: AG01EAMD(AG01EAMD)
Synonyms:
MDL No:
Molecular Formula: C9H14F2O4
Molecular Weight: 224.2019

Identification/Properties


Computed Properties
Molecular Weight:
224.204g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
8
Exact Mass:
224.086g/mol
Monoisotopic Mass:
224.086g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
206
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



Diethyl 3,3-difluoropentanedioate is a versatile compound commonly utilized in chemical synthesis as a key building block for creating a wide range of fluorinated organic molecules. Its unique structure, containing two fluorine atoms and a pentanedioate group, makes it particularly valuable for introducing fluorine atoms into organic structures, which can have significant effects on a molecule's properties such as solubility, stability, and bioactivity. In synthesis, this compound acts as a fluorinated synthon, allowing chemists to selectively incorporate fluorine atoms at specific positions within a molecule, enhancing its potential applications in medicinal chemistry, materials science, and agrochemical development. Additionally, the presence of the diethyl ester group provides further flexibility for functionalization and derivatization, enabling the construction of more complex molecular architectures. Overall, the strategic use of Diethyl 3,3-difluoropentanedioate in chemical synthesis offers a powerful tool for designing and accessing novel fluorinated compounds with tailored properties for various industrial and scientific applications.