2-[3,5-bis(trifluoromethyl)phenyl]ethanenitrile

Systemtic Name: 2-[3,5-bis(trifluoromethyl)phenyl]ethanenitrile Openeye Name: 2-[3,5-bis(trifluoromethyl)phenyl]acetonitrile CAS Name: 2-[3,5-bis(trifluoromethyl)phenyl]acetonitrile IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]acetonitrile Traditional Name: 2-[3,5-bis(trifluoromethyl)phenyl]acetonitrile Formula: C10H5F6N MolecularWeight: 253.143819

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CC#N

Isomeric SMILES

C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CC#N

InChI

InChI=1S/C10H5F6N/c11-9(12,13)7-3-6(1-2-17)4-8(5-7)10(14,15)16/h3-5H,1H2