IUPAC name
(2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoic acid
SMILES
C[C@H](C(=O)O)Oc1ccc(cc1)Oc1c(cc(cn1)Cl)F
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
clodinafop
IUPAC name
(2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoic acid
SMILES
C[C@H](C(=O)O)Oc1ccc(cc1)Oc1c(cc(cn1)Cl)F
INCHI
InChI=1S/C14H11ClFNO4/c1-8(14(18)19)20-10-2-4-11(5-3-10)21-13-12(16)6-9(15)7-17-13/h2-8H,1H3,(H,18,19)/t8-/m1/s1
FORMULA
C14H11ClFNO4
Common name
clodinafop
IUPAC name
(2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoic acid
Molecular weight
311.693
clogP
3.041
clogS
-3.803
HBond Acceptor
5
HBond Donor
1
Total Polar Surface Area
68.65
Number of Rings
2
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00006 | phenol |
|
c1ccc(cc1)O | 0.0897 |
| FDBF00047 | propionic acid |
|
CCC(=O)O | 0.0395 |
| FDBF01337 | benzene-1,4-diol |
|
Oc1ccc(cc1)O | 0.0100 |
| FDBF05905 | (2R)-2-hydroxypropanoic acid |
|
C[C@H](C(=O)O)O | 0.0027 |
| FDBF05906 | (3R)-3-chloro-5-fluoro-3H-pyridin-6-one |
|
O=C1N=C[C@@H](C=C1F)Cl | 0.0003 |
| FDBF05907 | (2R)-2-phenoxypropanoic acid |
|
C[C@H](C(=O)O)Oc1ccccc1 | 0.0021 |
| FDBF05908 | 3-chloro-5-fluoropyridine |
|
c1ncc(cc1F)Cl | 0.0003 |
8 ,
1
