CAS 1087788-48-4

2,2,2-Trifluoroethyl N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)carbamate

Description:

2,2,2-Trifluoroethyl N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)carbamate is a chemical compound characterized by its unique structure, which includes a trifluoroethyl group and a benzodioxepin moiety. This compound features a carbamate functional group, which is known for its role in various biological activities and applications in medicinal chemistry. The presence of trifluoroethyl enhances lipophilicity and may influence the compound's pharmacokinetic properties, potentially improving its efficacy in biological systems. The benzodioxepin structure contributes to the compound's stability and may also play a role in its interaction with biological targets. As a synthetic organic compound, it may be of interest in research related to pharmaceuticals, agrochemicals, or materials science. Its specific properties, such as solubility, melting point, and reactivity, would depend on the molecular interactions and the environment in which it is studied. Safety and handling considerations are essential, as with any chemical substance, particularly those with fluorinated groups, which can exhibit unique toxicological profiles.

Formula: C₁₂H₁₂F₃NO₄

InChI: InChI=1S/C12H12F3NO4/c13-12(14,15)7-20-11(17)16-8-2-3-9-10(6-8)19-5-1-4-18-9/h2-3,6H,1,4-5,7H2,(H,16,17)

InChI key: InChIKey=OZPYEBSCLLEFAK-UHFFFAOYSA-N

SMILES: N(C(OCC(F)(F)F)=O)C=1C=C2C(=CC1)OCCCO2

Synonyms:

• Carbamic acid, N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-, 2,2,2-trifluoroethyl ester
• 2,2,2-Trifluoroethyl N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)carbamate
• 2,2,2-Trifluoroethyl N-(3,4-dihydro-2H-1,5-benzodioxepin-8-yl)carbamate