4-bromanyl-N-[1,1,1-tris(fluoranyl)-4-phenyl-but-3-yn-2-yl]aniline

Systemtic Name: 4-bromanyl-N-[1,1,1-tris(fluoranyl)-4-phenyl-but-3-yn-2-yl]aniline Openeye Name: 4-bromo-N-[3-phenyl-1-(trifluoromethyl)prop-2-ynyl]aniline CAS Name: 4-bromo-N-(1,1,1-trifluoro-4-phenylbut-3-yn-2-yl)aniline IUPAC Name: 4-bromo-N-(1,1,1-trifluoro-4-phenylbut-3-yn-2-yl)aniline Traditional Name: (4-bromophenyl)-[3-phenyl-1-(trifluoromethyl)prop-2-ynyl]amine Formula: C16H11BrF3N MolecularWeight: 354.16445

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC(C(F)(F)F)NC2=CC=C(C=C2)Br

Isomeric SMILES

C1=CC=C(C=C1)C#CC(C(F)(F)F)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H11BrF3N/c17-13-7-9-14(10-8-13)21-15(16(18,19)20)11-6-12-4-2-1-3-5-12/h1-5,7-10,15,21H