Common name
3-(trifluoromethyl)aniline
IUPAC name
3-(trifluoromethyl)aniline
SMILES
c1(cc(ccc1)C(F)(F)F)N
Common name
3-(trifluoromethyl)aniline
IUPAC name
3-(trifluoromethyl)aniline
SMILES
c1(cc(ccc1)C(F)(F)F)N
INCHI
InChI=1S/C7H6F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H,11H2
FORMULA
C7H6F3N
Common name
3-(trifluoromethyl)aniline
IUPAC name
3-(trifluoromethyl)aniline
Molecular weight
161.124
clogP
2.113
clogS
-2.308
Frequency
0.0014
HBond Acceptor
0
HBond Donor
2
Total PolarSurface Area
26.02
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01310 | Niflumic Acid |
|
Anti-Inflammatory Agents, Non-Steroidal; Cyclooxygenase Inhibitors; Musculo-Skeletal System; Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; Antiinflammatory Preparations, Non-Steroids for Topical Use; Topical Products for Joint and Muscular Pain; | Used in the treatment of rheumatoid arthritis. |
| FDBD01608 | Etofenamate |
|
Musculo-Skeletal System; Antiinflammatory Preparations, Non-Steroids for Topical Use; Topical Products for Joint and Muscular Pain; | |
| FDBD01783 | Morniflumate |
|
Musculo-Skeletal System; Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; | |
| FDBD01792 | Talniflumate |
|
; | For the treatment of cystic fibrosis. |
4 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1bm7_ligand_2_2.mol2 | 1bm7 | 1 | -6.96 | Nc1cccc(C(F)(F)F)c1 | 11 |
| 4bo3_ligand_2_3.mol2 | 4bo3 | 1 | -6.89 | FC(F)(F)c1cc(ccc1)N | 11 |
| 5dq8_ligand_2_2.mol2 | 5dq8 | 1 | -6.70 | Nc1cc(ccc1)C(F)(F)F | 11 |
| 2pow_ligand_1_1.mol2 | 2pow | 1 | -6.46 | c1cc(cc(c1)C(F)(F)F)N | 11 |
| 2pix_ligand_2_2.mol2 | 2pix | 1 | -6.37 | Nc1cc(C(F)(F)F)ccc1 | 11 |
| 4deb_ligand_2_13.mol2 | 4deb | 1 | -6.37 | c1(cccc(c1)C(F)(F)F)N | 11 |
| 2np8_ligand_2_20.mol2 | 2np8 | 1 | -6.28 | Nc1cc(ccc1)C(F)(F)F | 11 |
| 4jx7_ligand_2_0.mol2 | 4jx7 | 1 | -6.20 | c1(cc(ccc1)N)C(F)(F)F | 11 |
| 1td7_ligand_2_0.mol2 | 1td7 | 1 | -5.98 | FC(F)(F)c1cc(ccc1)N | 11 |
280 ,
29
