tert-butyl (3S)-3-oxidanyl-3-(trifluoromethyl)-1H-pyrazole-2-carboxylate

Systemtic Name: tert-butyl (3S)-3-oxidanyl-3-(trifluoromethyl)-1H-pyrazole-2-carboxylate Openeye Name: tert-butyl (3S)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazole-2-carboxylate CAS Name: (3S)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazole-2-carboxylate Traditional Name: (5S)-5-hydroxy-5-(trifluoromethyl)-3-pyrazoline-1-carboxylic acid tert-butyl ester Formula: C9H13F3N2O3 MolecularWeight: 254.20633

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(C=CN1)(C(F)(F)F)O

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@](C=CN1)(C(F)(F)F)O

InChI

InChI=1S/C9H13F3N2O3/c1-7(2,3)17-6(15)14-8(16,4-5-13-14)9(10,11)12/h4-5,13,16H,1-3H3/t8-/m0/s1