IUPAC name
(2E)-4-[4-[4-(trifluoromethyl)phenoxy]phenoxy]-2-pentenoic acid
SMILES
CC(/C=C/C(=O)O)Oc1ccc(cc1)Oc1ccc(cc1)C(F)(F)F
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
difenopenten
IUPAC name
(2E)-4-[4-[4-(trifluoromethyl)phenoxy]phenoxy]-2-pentenoic acid
SMILES
CC(/C=C/C(=O)O)Oc1ccc(cc1)Oc1ccc(cc1)C(F)(F)F
INCHI
InChI=1S/C18H15F3O4/c1-12(2-11-17(22)23)24-14-7-9-16(10-8-14)25-15-5-3-13(4-6-15)18(19,20)21/h2-12H,1H3,(H,22,23)/b11-2+
FORMULA
C18H15F3O4
Common name
difenopenten
IUPAC name
(2E)-4-[4-[4-(trifluoromethyl)phenoxy]phenoxy]-2-pentenoic acid
Molecular weight
352.305
clogP
4.204
clogS
-3.929
HBond Acceptor
4
HBond Donor
1
Total Polar Surface Area
55.76
Number of Rings
2
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00006 | phenol |
|
c1ccc(cc1)O | 0.0897 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00177 | fluoroform |
|
FC(F)F | 0.0704 |
| FDBF00281 | ethoxybenzene |
|
O(c1ccccc1)CC | 0.0175 |
| FDBF01031 | 4-(trifluoromethyl)phenol |
|
c1(ccc(cc1)C(F)(F)F)O | 0.0014 |
| FDBF01337 | benzene-1,4-diol |
|
Oc1ccc(cc1)O | 0.0100 |
| FDBF01971 | acrylic acid |
|
O=C(O)C=C | 0.0027 |
| FDBF04291 | (E)-pent-2-enoic acid |
|
CCC=CC(=O)O | 0.0007 |
| FDBF04444 | 4-ethoxyphenol |
|
C(C)Oc1ccc(cc1)O | 0.0027 |
| FDBF05990 | (E,4S)-4-hydroxypent-2-enoic acid |
|
O[C@@H](C)/C=C/C(=O)O | 0.0003 |
13 ,
2
