Molecule ID: 3330

IUPAC Name: 2-[[4-(trifluoromethoxy)phenyl]hydrazinylidene]propanedinitrile

Description: The molecule is a hydrazone that is hydrazonomalononitrile in which one of the hydrazine hydrogens is substituted by a p-trifluoromethoxyphenyl group. It has a role as an ionophore and an ATP synthase inhibitor. It is a hydrazone, a nitrile, an organofluorine compound and an aromatic ether. It derives from a hydrazonomalononitrile.

SMILES: N#CC(C#N)=NNc1ccc(OC(F)(F)F)cc1

SELFIES: [N][#C][C][Branch1][Ring1][C][#N][=N][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O]

InChI: InChI=1S/C10H5F3N4O/c11-10(12,13)18-9-3-1-7(2-4-9)16-17-8(5-14)6-15/h1-4,16H

Molecular Properties:
- Polar Surface Area: 81.2 Ų
- LogP: 3.7