2-tert-butyl-3-oxidanyl-3-(trifluoromethyl)isoindol-1-one

Systemtic Name: 2-tert-butyl-3-oxidanyl-3-(trifluoromethyl)isoindol-1-one Openeye Name: 2-tert-butyl-3-hydroxy-3-(trifluoromethyl)isoindolin-1-one CAS Name: 2-tert-butyl-3-hydroxy-3-(trifluoromethyl)-1-isoindolone IUPAC Name: 2-tert-butyl-3-hydroxy-3-(trifluoromethyl)isoindol-1-one Traditional Name: 2-tert-butyl-3-hydroxy-3-(trifluoromethyl)isoindolin-1-one Formula: C13H14F3NO2 MolecularWeight: 273.25097

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C2=CC=CC=C2C1(C(F)(F)F)O

Isomeric SMILES

CC(C)(C)N1C(=O)C2=CC=CC=C2C1(C(F)(F)F)O

InChI

InChI=1S/C13H14F3NO2/c1-11(2,3)17-10(18)8-6-4-5-7-9(8)12(17,19)13(14,15)16/h4-7,19H,1-3H3