Common name
trifluoromethylbenzene
IUPAC name
trifluoromethylbenzene
SMILES
c1ccc(cc1)C(F)(F)F
Common name
trifluoromethylbenzene
IUPAC name
trifluoromethylbenzene
SMILES
c1ccc(cc1)C(F)(F)F
INCHI
InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
FORMULA
C7H5F3
Common name
trifluoromethylbenzene
IUPAC name
trifluoromethylbenzene
Molecular weight
146.110
clogP
2.829
clogS
-2.504
Frequency
0.0172
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02837 | tritosulfuron |
|
Herbicide | Herbicide |
| FDBD02866 | fluridone |
|
Herbicide | Herbicide |
| FDBD02867 | flurochloridone |
|
Herbicide | Herbicide |
| FDBD02868 | flurtamone |
|
Herbicide | Herbicide |
| FDBD02906 | flumetover |
|
Fungicide | Fungicide |
| FDBD02943 | flutolanil |
|
Fungicide | Fungicide |
| FDBD02989 | trifloxystrobin |
|
Fungicide | Fungicide |
| FDBD03066 | ipfentrifluconazole |
|
Fungicide | Fungicide |
| FDBD03067 | mefentrifluconazole |
|
Fungicide | Fungicide |
| FDBD03232 | fluotrimazole |
|
Fungicide | Fungicide |
50 ,
6
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2i80_ligand_1_0.mol2 | 2i80 | 1 | -7.23 | c1(ccccc1)C(F)(F)F | 10 |
| 4mm9_ligand_1_9.mol2 | 4mm9 | 1 | -7.20 | c1ccc(cc1)C(F)(F)F | 10 |
| 4mm8_ligand_1_0.mol2 | 4mm8 | 1 | -7.18 | FC(F)(F)c1ccccc1 | 10 |
| 4g31_ligand_1_3.mol2 | 4g31 | 1 | -7.16 | FC(F)(F)c1ccccc1 | 10 |
| 4hvs_ligand_1_5.mol2 | 4hvs | 1 | -7.16 | c1ccc(cc1)C(F)(F)F | 10 |
219 ,
22
