1-[3,4-bis(fluoranyl)phenyl]ethanone; 1-(4-tert-butylphenyl)-N-methyl-methanamine

Systemtic Name: 1-[3,4-bis(fluoranyl)phenyl]ethanone; 1-(4-tert-butylphenyl)-N-methyl-methanamine Openeye Name: 1-(4-tert-butylphenyl)-N-methyl-methanamine; 1-(3,4-difluorophenyl)ethanone CAS Name: 1-(4-tert-butylphenyl)-N-methylmethanamine; 1-(3,4-difluorophenyl)ethanone IUPAC Name: 1-(4-tert-butylphenyl)-N-methylmethanamine; 1-(3,4-difluorophenyl)ethanone Traditional Name: (4-tert-butylbenzyl)-methyl-amine; 1-(3,4-difluorophenyl)ethanone Formula: C20H25F2NO MolecularWeight: 333.415406

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)F)F.CC(C)(C)C1=CC=C(C=C1)CNC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)F)F.CC(C)(C)C1=CC=C(C=C1)CNC

InChI

InChI=1S/C12H19N.C8H6F2O/c1-12(2,3)11-7-5-10(6-8-11)9-13-4;1-5(11)6-2-3-7(9)8(10)4-6/h5-8,13H,9H2,1-4H3;2-4H,1H3