tert-butyl (2S)-2-(hydroxymethyl)-4-(trifluoromethyl)-2,3-dihydropyrrole-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-(hydroxymethyl)-4-(trifluoromethyl)-2,3-dihydropyrrole-1-carboxylate Openeye Name: tert-butyl (2S)-2-(hydroxymethyl)-4-(trifluoromethyl)-2,3-dihydropyrrole-1-carboxylate CAS Name: (2S)-2-(hydroxymethyl)-4-(trifluoromethyl)-2,3-dihydropyrrole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-(hydroxymethyl)-4-(trifluoromethyl)-2,3-dihydropyrrole-1-carboxylate Traditional Name: (2S)-2-methylol-4-(trifluoromethyl)-2-pyrroline-1-carboxylic acid tert-butyl ester Formula: C11H16F3NO3 MolecularWeight: 267.24485

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(CC1CO)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C[C@H]1CO)C(F)(F)F

InChI

InChI=1S/C11H16F3NO3/c1-10(2,3)18-9(17)15-5-7(11(12,13)14)4-8(15)6-16/h5,8,16H,4,6H2,1-3H3/t8-/m0/s1