1-[4-(aminomethyl)-3-azanyl-5-prop-2-ynyl-phenyl]-2,2,2-tris(fluoranyl)ethanone

Systemtic Name: 1-[4-(aminomethyl)-3-azanyl-5-prop-2-ynyl-phenyl]-2,2,2-tris(fluoranyl)ethanone Openeye Name: 1-[3-amino-4-(aminomethyl)-5-prop-2-ynyl-phenyl]-2,2,2-trifluoro-ethanone CAS Name: 1-[3-amino-4-(aminomethyl)-5-prop-2-ynylphenyl]-2,2,2-trifluoroethanone IUPAC Name: 1-[3-amino-4-(aminomethyl)-5-prop-2-ynylphenyl]-2,2,2-trifluoroethanone Traditional Name: 1-[3-amino-4-(aminomethyl)-5-propargyl-phenyl]-2,2,2-trifluoro-ethanone Formula: C12H11F3N2O MolecularWeight: 256.22375

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Descriptors Computed from Structure

Canonical SMILES:

C#CCC1=C(C(=CC(=C1)C(=O)C(F)(F)F)N)CN

Isomeric SMILES

C#CCC1=C(C(=CC(=C1)C(=O)C(F)(F)F)N)CN

InChI

InChI=1S/C12H11F3N2O/c1-2-3-7-4-8(11(18)12(13,14)15)5-10(17)9(7)6-16/h1,4-5H,3,6,16-17H2