3-[3-[2,2,2-tris(fluoranyl)ethanoyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2,2,2-tris(fluoranyl)ethanoyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-(2,2,2-trifluoroacetyl)indol-1-yl]propanenitrile CAS Name: 3-[3-(2,2,2-trifluoro-1-oxoethyl)-1-indolyl]propanenitrile IUPAC Name: 3-[3-(2,2,2-trifluoroacetyl)indol-1-yl]propanenitrile Traditional Name: 3-[3-(2,2,2-trifluoroacetyl)indol-1-yl]propionitrile Formula: C13H9F3N2O MolecularWeight: 266.21857

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCC#N)C(=O)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCC#N)C(=O)C(F)(F)F

InChI

InChI=1S/C13H9F3N2O/c14-13(15,16)12(19)10-8-18(7-3-6-17)11-5-2-1-4-9(10)11/h1-2,4-5,8H,3,7H2