4-[3-fluoranyl-5-(trifluoromethyl)phenyl]piperidine-4-carbonitrile

Systemtic Name: 4-[3-fluoranyl-5-(trifluoromethyl)phenyl]piperidine-4-carbonitrile Openeye Name: 4-[3-fluoro-5-(trifluoromethyl)phenyl]piperidine-4-carbonitrile CAS Name: 4-[3-fluoro-5-(trifluoromethyl)phenyl]-4-piperidinecarbonitrile IUPAC Name: 4-[3-fluoro-5-(trifluoromethyl)phenyl]piperidine-4-carbonitrile Traditional Name: 4-[3-fluoro-5-(trifluoromethyl)phenyl]isonipecotonitrile Formula: C13H12F4N2 MolecularWeight: 272.241393

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1(C#N)C2=CC(=CC(=C2)F)C(F)(F)F

Isomeric SMILES

C1CNCCC1(C#N)C2=CC(=CC(=C2)F)C(F)(F)F

InChI

InChI=1S/C13H12F4N2/c14-11-6-9(5-10(7-11)13(15,16)17)12(8-18)1-3-19-4-2-12/h5-7,19H,1-4H2