Explore 2-Ac-2C-H-TFA | PiHKAL

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Names

IUPAC name

4-Methoxy-2-[2-(2,2,2-trifluoroacetamido)ethyl]phenyl acetate

ID 1785 · Formula C₁₃H₁₄F₃NO₄ · Molecular weight 305.25

InChI InChI=1S/C13H14F3NO4/c1-8(18)21-11-4-3-10(20-2)7-9(11)5-6-17-12(19)13(14,15)16/h3-4,7H,5-6H2,1-2H3,(H,17,19)

InChI Key SPRXIPGQXLCHRK-UHFFFAOYSA-N This stereoisomer Any stereoisomer

SMILES COc1ccc(c(c1)CCNC(=O)C(F)(F)F)OC(=O)C

Wu, X; Eriksson, C; Wohlfarth, A; Wallgren, J; Kronstrand, R; Josefsson, M; Dahlén, J; Konradsson, P. Synthesis and identification of metabolite biomarkers of 25C-NBOMe and 25I-NBOMe Tetrahedron, 1 Nov 2017, 73 (45), 6393–6400. 607 kB. https://doi.org/10.1016/j.tet.2017.09.024 #12 MS,NMR

2,5-Dimethoxy-4-(2,2,2-trifluoroethyl)-β-methyl-β-nitrostyrene · DOTFE NS

2C-Formyl-TFA

2,5-Dimethoxy-4-trifluoromethyl-β-ethyl-β-nitrostyrene · 4C-TFM NS

7 Dec 2019 · · Isomer Design