benzenecarbonitrile; 1,2,3-tris(fluoranyl)-4-(2-fluoranylethyl)benzene

Systemtic Name: benzenecarbonitrile; 1,2,3-tris(fluoranyl)-4-(2-fluoranylethyl)benzene Openeye Name: benzonitrile; 1,2,3-trifluoro-4-(2-fluoroethyl)benzene CAS Name: benzonitrile; 1,2,3-trifluoro-4-(2-fluoroethyl)benzene IUPAC Name: benzonitrile; 1,2,3-trifluoro-4-(2-fluoroethyl)benzene Traditional Name: benzonitrile; 1,2,3-trifluoro-4-(2-fluoroethyl)benzene Formula: C15H11F4N MolecularWeight: 281.248153

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#N.C1=CC(=C(C(=C1CCF)F)F)F

Isomeric SMILES

C1=CC=C(C=C1)C#N.C1=CC(=C(C(=C1CCF)F)F)F

InChI

InChI=1S/C8H6F4.C7H5N/c9-4-3-5-1-2-6(10)8(12)7(5)11;8-6-7-4-2-1-3-5-7/h1-2H,3-4H2;1-5H