2-[3,3-bis(fluoranyl)-2H-1,4-benzodioxin-6-yl]-3-methyl-butanenitrile

Systemtic Name: 2-[3,3-bis(fluoranyl)-2H-1,4-benzodioxin-6-yl]-3-methyl-butanenitrile Openeye Name: 2-(3,3-difluoro-2H-1,4-benzodioxin-6-yl)-3-methyl-butanenitrile CAS Name: 2-(3,3-difluoro-2H-1,4-benzodioxin-6-yl)-3-methylbutanenitrile IUPAC Name: 2-(3,3-difluoro-2H-1,4-benzodioxin-6-yl)-3-methylbutanenitrile Traditional Name: 2-(3,3-difluoro-2H-1,4-benzodioxin-6-yl)-3-methyl-butyronitrile Formula: C13H13F2NO2 MolecularWeight: 253.244626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C#N)C1=CC2=C(C=C1)OCC(O2)(F)F

Isomeric SMILES

CC(C)C(C#N)C1=CC2=C(C=C1)OCC(O2)(F)F

InChI

InChI=1S/C13H13F2NO2/c1-8(2)10(6-16)9-3-4-11-12(5-9)18-13(14,15)7-17-11/h3-5,8,10H,7H2,1-2H3