Propanedioic acid, fluoromethyl-, diethyl ester


Chemical Name: Propanedioic acid, fluoromethyl-, diethyl ester
CAS Number: 16519-02-1
Product Number: AG001VZS(AGN-PC-0O4PDL)
Synonyms:
MDL No:
Molecular Formula: C8H13FO4
Molecular Weight: 192.1848

Identification/Properties


Computed Properties
Molecular Weight:
192.186g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
6
Exact Mass:
192.08g/mol
Monoisotopic Mass:
192.08g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
184
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

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3265
Hazard Statements:
H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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Chemical Structure



Diethyl 2-fluoro-2-methylmalonate is a versatile compound used in chemical synthesis for its unique properties. It serves as a key building block in the creation of various organic compounds due to its fluoro and methyl functionalities. The presence of the fluoro group introduces fluorine atoms into the synthesized molecules, which can enhance their bioactivity or alter their chemical reactivity. Additionally, the methyl group provides steric effects that can influence the overall geometry and properties of the final products. Overall, Diethyl 2-fluoro-2-methylmalonate is an essential reagent in the construction of diverse organic molecules with tailored structures and functions.