2-[2-fluoranyl-4,6-bis(trifluoromethyl)phenyl]ethanenitrile

Systemtic Name: 2-[2-fluoranyl-4,6-bis(trifluoromethyl)phenyl]ethanenitrile Openeye Name: 2-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]acetonitrile CAS Name: 2-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]acetonitrile IUPAC Name: 2-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]acetonitrile Traditional Name: 2-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]acetonitrile Formula: C10H4F7N MolecularWeight: 271.134282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H4F7N/c11-8-4-5(9(12,13)14)3-7(10(15,16)17)6(8)1-2-18/h3-4H,1H2