Molecule ID: 25015075

IUPAC Name: [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl (1R,3R)-3-[(Z)-2-cyanoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate

Description: The molecule is a carboxylic ester obtained by formal condensation between the carboxy group of (1R,3R)-3-[(1Z)-2-cyanoprop-1-en-1-yl]-2,2-dimethylcyclopropane-1-carboxylic acid with the benzylic hydroxy group of [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methanol. It has a role as a pyrethroid ester insecticide and an agrochemical. It is a carboxylic ester, a member of cyclopropanes, an ether, an organofluorine insecticide, a tetrafluorobenzene and a nitrile. It derives from a chrysanthemic acid.

SMILES: COCc1c(F)c(F)c(COC(=O)[C@@H]2[C@@H](/C=C(/C)C#N)C2(C)C)c(F)c1F

SELFIES: [C][O][C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch2][Ring1][=Branch2][C][O][C][=Branch1][C][=O][C@@H1][C@@H1][Branch1][Branch2][/C][=C][Branch1][C][/C][C][#N][C][Ring1][Branch2][Branch1][C][C][C][C][Branch1][C][F][=C][Ring2][Ring1][#Branch1][F]

InChI: InChI=1S/C19H19F4NO3/c1-9(6-24)5-12-13(19(12,2)3)18(25)27-8-11-16(22)14(20)10(7-26-4)15(21)17(11)23/h5,12-13H,7-8H2,1-4H3/b9-5-/t12-,13+/m1/s1

Molecular Properties:
- Polar Surface Area: 59.3 Ų
- LogP: 3.2