3,3,3-trifluoro-2-(oxolan-2-ylmethyl)propanoic acid


Chemical Name: 3,3,3-trifluoro-2-(oxolan-2-ylmethyl)propanoic acid
CAS Number: 480438-81-1
Product Number: AG00D9SX(AGN-PC-0KK6RW)
Synonyms:
MDL No:
Molecular Formula: C8H11F3O3
Molecular Weight: 212.1663

Identification/Properties


Computed Properties
Molecular Weight:
212.168g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
212.066g/mol
Monoisotopic Mass:
212.066g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
214
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



3,3,3-Trifluoro-2-((tetrahydrofuran-2-yl)methyl)propanoic acid is a versatile compound widely used in chemical synthesis applications. Its unique structure allows it to serve as a valuable building block in the creation of various organic compounds. This acid is particularly valuable in the development of pharmaceuticals, agrochemicals, and materials science. Its trifluoromethyl group imparts desirably altered physicochemical properties to the molecules being synthesized, enhancing their effectiveness in various applications. Furthermore, the presence of the tetrahydrofuran moiety provides flexibility and sterics that can be crucial for achieving specificity in complex molecular design. By integrating 3,3,3-Trifluoro-2-((tetrahydrofuran-2-yl)methyl)propanoic acid into chemical syntheses, researchers can access novel compounds with enhanced properties and bioactivities.