3-ethynyl-N-[[2-(trifluoromethyl)phenyl]methyl]aniline

Systemtic Name: 3-ethynyl-N-[[2-(trifluoromethyl)phenyl]methyl]aniline Openeye Name: 3-ethynyl-N-[[2-(trifluoromethyl)phenyl]methyl]aniline CAS Name: 3-ethynyl-N-[[2-(trifluoromethyl)phenyl]methyl]aniline IUPAC Name: 3-ethynyl-N-[[2-(trifluoromethyl)phenyl]methyl]aniline Traditional Name: (3-ethynylphenyl)-[2-(trifluoromethyl)benzyl]amine Formula: C16H12F3N MolecularWeight: 275.26839

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NCC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

C#CC1=CC(=CC=C1)NCC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C16H12F3N/c1-2-12-6-5-8-14(10-12)20-11-13-7-3-4-9-15(13)16(17,18)19/h1,3-10,20H,11H2