Common name
3-(trifluoromethyl)phenol
IUPAC name
3-(trifluoromethyl)phenol
SMILES
c1(cc(ccc1)C(F)(F)F)O
Common name
3-(trifluoromethyl)phenol
IUPAC name
3-(trifluoromethyl)phenol
SMILES
c1(cc(ccc1)C(F)(F)F)O
INCHI
InChI=1S/C7H5F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4,11H
FORMULA
C7H5F3O
Common name
3-(trifluoromethyl)phenol
IUPAC name
3-(trifluoromethyl)phenol
Molecular weight
162.109
clogP
2.352
clogS
-2.093
Frequency
0.0024
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
20.23
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00174 | Travoprost |
|
Antihypertensive Agents; Prostaglandins, Synthetic; Anti-glaucoma Agents; Ophthalmics; Ophthalmologicals; Sensory Organs; Antiglaucoma Preparations and Miotics; Prostaglandin Analogues; | Ophthalmic solution used for the reduction of elevated intraocular pressure in patients with open-angle glaucoma or ocular hypertension who are intolerant of other intraocular pressure lowering medications or insufficiently responsive (failed to achieve target IOP determined after multiple measurements over time) to another intraocular pressure lowering medication. |
| FDBD02386 | diflufenican |
|
Herbicide | Herbicide |
| FDBD02391 | flufenican |
|
Herbicide | Herbicide |
| FDBD02399 | picolinafen |
|
Herbicide | Herbicide |
| FDBD02437 | penoxsulam |
|
Herbicide | Herbicide |
| FDBD03066 | ipfentrifluconazole |
|
Fungicide | Fungicide |
| FDBD03067 | mefentrifluconazole |
|
Fungicide | Fungicide |
7 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4hej_ligand_2_14.mol2 | 4hej | 1 | -6.76 | c1(cccc(c1)C(F)(F)F)O | 11 |
| 4gsy_ligand_2_5.mol2 | 4gsy | 1 | -6.74 | c1cc(cc(c1)O)C(F)(F)F | 11 |
| 4mm8_ligand_2_0.mol2 | 4mm8 | 0.83871 | -7.14 | Oc1ccc(C(F)(F)F)cc1 | 11 |
| 3b8z_ligand_2_9.mol2 | 3b8z | 0.83871 | -7.06 | C(F)(F)(F)c1ccc(cc1)O | 11 |
308 ,
31
