2-[2,2,3-tris(fluoranyl)-3H-1,4-benzodioxin-6-yl]ethanenitrile

Systemtic Name: 2-[2,2,3-tris(fluoranyl)-3H-1,4-benzodioxin-6-yl]ethanenitrile Openeye Name: 2-(2,2,3-trifluoro-3H-1,4-benzodioxin-6-yl)acetonitrile CAS Name: 2-(2,2,3-trifluoro-3H-1,4-benzodioxin-6-yl)acetonitrile IUPAC Name: 2-(2,2,3-trifluoro-3H-1,4-benzodioxin-6-yl)acetonitrile Traditional Name: 2-(2,2,3-trifluoro-3H-1,4-benzodioxin-6-yl)acetonitrile Formula: C10H6F3NO2 MolecularWeight: 229.15535

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1CC#N)OC(C(O2)(F)F)F

Isomeric SMILES

C1=CC2=C(C=C1CC#N)OC(C(O2)(F)F)F

InChI

InChI=1S/C10H6F3NO2/c11-9-10(12,13)16-7-2-1-6(3-4-14)5-8(7)15-9/h1-2,5,9H,3H2