IUPAC name
2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
SMILES
CC(C(=O)O)Oc1ccc(cc1)Oc1ccc(cc1)C(F)(F)F
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
trifop
IUPAC name
2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
SMILES
CC(C(=O)O)Oc1ccc(cc1)Oc1ccc(cc1)C(F)(F)F
INCHI
InChI=1S/C16H13F3O4/c1-10(15(20)21)22-12-6-8-14(9-7-12)23-13-4-2-11(3-5-13)16(17,18)19/h2-10H,1H3,(H,20,21)
FORMULA
C16H13F3O4
Common name
trifop
IUPAC name
2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
Molecular weight
326.267
clogP
3.596
clogS
-3.856
HBond Acceptor
4
HBond Donor
1
Total Polar Surface Area
55.76
Number of Rings
2
Rotatable Bond
6
| 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 |
| FDBF00162 | trifluoromethylbenzene |
|
c1ccc(cc1)C(F)(F)F | 0.0172 |
| FDBF00177 | fluoroform |
|
FC(F)F | 0.0704 |
| FDBF01031 | 4-(trifluoromethyl)phenol |
|
c1(ccc(cc1)C(F)(F)F)O | 0.0014 |
| FDBF01337 | benzene-1,4-diol |
|
Oc1ccc(cc1)O | 0.0100 |
| FDBF03150 | (2S)-2-hydroxypropanoic acid |
|
C(O)(C)C(=O)O | 0.0069 |
| FDBF03947 | (2S)-2-phenoxypropanoic acid |
|
O(c1ccccc1)C(C)C(=O)O | 0.0034 |
| FDBF04886 | 4-phenoxyphenol |
|
Oc1ccc(cc1)Oc1ccccc1 | 0.0021 |
10 ,
2
