Oxirane, [4-(trifluoromethoxy)phenyl]-


Chemical Name: Oxirane, [4-(trifluoromethoxy)phenyl]-
CAS Number: 111991-17-4
Product Number: AG0083QI(AGN-PC-00PX25)
Synonyms:
MDL No:
Molecular Formula: C9H7F3O2
Molecular Weight: 204.1459

Identification/Properties


Computed Properties
Molecular Weight:
204.148g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
204.04g/mol
Monoisotopic Mass:
204.04g/mol
Topological Polar Surface Area:
21.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
197
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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Chemical Structure



2-(4-(Trifluoromethoxy)phenyl)oxirane, also known as $name$, plays a crucial role in chemical synthesis as a versatile building block. This compound serves as a valuable precursor in the preparation of various organic molecules and polymers. Its unique structure containing a trifluoromethoxy group and oxirane ring imparts distinctive reactivity and functionality that make it an essential component in the construction of complex organic compounds. In chemical synthesis, 2-(4-(Trifluoromethoxy)phenyl)oxirane can undergo various transformations such as ring-opening reactions, nucleophilic substitutions, and cross-coupling reactions, leading to the formation of diverse chemical structures with specific properties. This compound is particularly useful in the synthesis of pharmaceuticals, agrochemicals, and materials due to its ability to introduce the trifluoromethoxy group into target molecules, which can significantly influence their biological activity or physical properties.Moreover, the presence of the oxirane ring in 2-(4-(Trifluoromethoxy)phenyl)oxirane allows for the incorporation of chiral centers, enabling the preparation of enantiomerically pure compounds for applications in medicinal chemistry or asymmetric synthesis. Overall, the strategic use of 2-(4-(Trifluoromethoxy)phenyl)oxirane in chemical synthesis empowers chemists to access a wide range of structurally diverse and functionally rich compounds essential for various industries and research endeavors.