3-[[3-azanyl-1,1,1-tris(fluoranyl)propan-2-yl]-phenyl-amino]propanenitrile

Systemtic Name: 3-[[3-azanyl-1,1,1-tris(fluoranyl)propan-2-yl]-phenyl-amino]propanenitrile Openeye Name: 3-(N-[1-(aminomethyl)-2,2,2-trifluoro-ethyl]anilino)propanenitrile CAS Name: 3-(N-(3-amino-1,1,1-trifluoropropan-2-yl)anilino)propanenitrile IUPAC Name: 3-(N-(3-amino-1,1,1-trifluoropropan-2-yl)anilino)propanenitrile Traditional Name: 3-(N-[1-(aminomethyl)-2,2,2-trifluoro-ethyl]anilino)propionitrile Formula: C12H14F3N3 MolecularWeight: 257.25487

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(CN)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(CN)C(F)(F)F

InChI

InChI=1S/C12H14F3N3/c13-12(14,15)11(9-17)18(8-4-7-16)10-5-2-1-3-6-10/h1-3,5-6,11H,4,8-9,17H2