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 |
|---|---|---|---|---|
| FDBD01788 | Rolapitant |
|
CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Neurokinin-1 Receptor Antagonists; | Rolapitant is indicated in combination with other antiemetic agents in adults for the prevention of delayed nausea and vomiting associated with initial and repeat courses of emetogenic cancer chemotherapy, including, but not limited to, highly emetogenic chemotherapy. |
| FDBD01792 | Talniflumate |
|
; | For the treatment of cystic fibrosis. |
| FDBD01981 | penfluron |
|
Insecticide | Insecticide |
| FDBD02322 | triflumezopyrim |
|
Insecticide | Insecticide |
| FDBD02337 | hydramethylnon |
|
Insecticide | Insecticide |
| FDBD02386 | diflufenican |
|
Herbicide | Herbicide |
| FDBD02391 | flufenican |
|
Herbicide | Herbicide |
| FDBD02399 | picolinafen |
|
Herbicide | Herbicide |
| FDBD02425 | benzofluor |
|
Herbicide | Herbicide |
| FDBD02437 | penoxsulam |
|
Herbicide | Herbicide |
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
