2-[3,4-bis(trifluoromethyl)phenyl]ethanenitrile

Systemtic Name: 2-[3,4-bis(trifluoromethyl)phenyl]ethanenitrile Openeye Name: 2-[3,4-bis(trifluoromethyl)phenyl]acetonitrile CAS Name: 2-[3,4-bis(trifluoromethyl)phenyl]acetonitrile IUPAC Name: 2-[3,4-bis(trifluoromethyl)phenyl]acetonitrile Traditional Name: 2-[3,4-bis(trifluoromethyl)phenyl]acetonitrile Formula: C10H5F6N MolecularWeight: 253.143819

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC#N)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC(=C(C=C1CC#N)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C10H5F6N/c11-9(12,13)7-2-1-6(3-4-17)5-8(7)10(14,15)16/h1-2,5H,3H2