Molecule ID: 157495

IUPAC Name: butyl (2S)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate

Description: The molecule is a butyl 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate that has S configuration. It is the inactive enantiomer of the herbicide fluazifop-P-butyl. It is an enantiomer of a fluazifop-P-butyl.

SMILES: CCCCOC(=O)[C@H](C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1

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

InChI: InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m0/s1

Molecular Properties:
- Polar Surface Area: 57.6 Ų
- LogP: 4.5