3-(trifluoromethyl)benzenecarbonitrile; 4-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 3-(trifluoromethyl)benzenecarbonitrile; 4-(trifluoromethyl)benzenecarbonitrile Openeye Name: 3-(trifluoromethyl)benzonitrile; 4-(trifluoromethyl)benzonitrile CAS Name: 3-(trifluoromethyl)benzonitrile; 4-(trifluoromethyl)benzonitrile IUPAC Name: 3-(trifluoromethyl)benzonitrile; 4-(trifluoromethyl)benzonitrile Traditional Name: 3-(trifluoromethyl)benzonitrile; 4-(trifluoromethyl)benzonitrile Formula: C16H8F6N2 MolecularWeight: 342.238539

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C8H4F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7;9-8(10,11)7-3-1-2-6(4-7)5-12/h2*1-4H