IUPAC name
2-propanone O-[(2R)-1-oxo-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propyl]oxime
SMILES
CC(=NOC(=O)[C@@H](C)Oc1ccc(cc1)Oc1ccc(cc1)C(F)(F)F)C
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
trifopsime
IUPAC name
2-propanone O-[(2R)-1-oxo-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propyl]oxime
SMILES
CC(=NOC(=O)[C@@H](C)Oc1ccc(cc1)Oc1ccc(cc1)C(F)(F)F)C
INCHI
InChI=1S/C19H18F3NO4/c1-12(2)23-27-18(24)13(3)25-15-8-10-17(11-9-15)26-16-6-4-14(5-7-16)19(20,21)22/h4-11,13H,1-3H3/t13-/m1/s1
FORMULA
C19H18F3NO4
Common name
trifopsime
IUPAC name
2-propanone O-[(2R)-1-oxo-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propyl]oxime
Molecular weight
381.346
clogP
4.800
clogS
-5.001
HBond Acceptor
5
HBond Donor
0
Total Polar Surface Area
57.12
Number of Rings
2
Rotatable Bond
8
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00006 | phenol |
|
c1ccc(cc1)O | 0.0897 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00162 | trifluoromethylbenzene |
|
c1ccc(cc1)C(F)(F)F | 0.0172 |
| 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 |
| FDBF04444 | 4-ethoxyphenol |
|
C(C)Oc1ccc(cc1)O | 0.0027 |
| FDBF06215 | (propan-2-ylideneamino) formate |
|
CC(=NOC=O)C | 0.0007 |
12 ,
2
