2-(phenylmethyl)-2-[3,3,3-tris(fluoranyl)propyl]propanedinitrile

Systemtic Name: 2-(phenylmethyl)-2-[3,3,3-tris(fluoranyl)propyl]propanedinitrile Openeye Name: 2-benzyl-2-(3,3,3-trifluoropropyl)propanedinitrile CAS Name: 2-(phenylmethyl)-2-(3,3,3-trifluoropropyl)propanedinitrile IUPAC Name: 2-benzyl-2-(3,3,3-trifluoropropyl)propanedinitrile Traditional Name: 2-benzyl-2-(3,3,3-trifluoropropyl)malononitrile Formula: C13H11F3N2 MolecularWeight: 252.23505

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11F3N2/c14-13(15,16)7-6-12(9-17,10-18)8-11-4-2-1-3-5-11/h1-5H,6-8H2