Common name
N-(2,2,2-trifluoroethyl)acetamide
IUPAC name
N-(2,2,2-trifluoroethyl)acetamide
SMILES
CC(=O)NCC(F)(F)F
Common name
N-(2,2,2-trifluoroethyl)acetamide
IUPAC name
N-(2,2,2-trifluoroethyl)acetamide
SMILES
CC(=O)NCC(F)(F)F
INCHI
InChI=1S/C4H6F3NO/c1-3(9)8-2-4(5,6)7/h2H2,1H3,(H,8,9)
FORMULA
C4H6F3NO
Common name
N-(2,2,2-trifluoroethyl)acetamide
IUPAC name
N-(2,2,2-trifluoroethyl)acetamide
Molecular weight
141.092
clogP
0.968
clogS
-1.533
Frequency
0.0007
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
29.1
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02324 | afoxolaner |
|
Insecticide | Insecticide |
| FDBD02335 | fluralaner |
|
Insecticide | Insecticide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ela_ligand_3_5.mol2 | 1ela | 0.894737 | -6.24 | CCNC(=O)C(F)(F)F | 9 |
| 1eld_ligand_3_7.mol2 | 1eld | 0.894737 | -6.18 | C(NC(=O)C(F)(F)F)C | 9 |
| 1bma_ligand_3_10.mol2 | 1bma | 0.894737 | -6.11 | CCNC(=O)C(F)(F)F | 9 |
| 2cng_ligand_3_27.mol2 | 2cng | 0.894737 | -5.75 | N(C(=O)C(F)(F)F)CC | 9 |
| 1elc_ligand_3_8.mol2 | 1elc | 0.894737 | -5.61 | C(F)(F)(F)C(=O)NCC | 9 |
| 1elb_ligand_3_11.mol2 | 1elb | 0.894737 | -5.58 | C(=O)(NCC)C(F)(F)F | 9 |
| 4ytf_ligand_2_9.mol2 | 4ytf | 0.833333 | -5.47 | C(F)(F)(F)CNC=O | 8 |
| 4yti_ligand_2_15.mol2 | 4yti | 0.833333 | -5.45 | C(=O)NCC(F)(F)F | 8 |
| 4yth_ligand_2_14.mol2 | 4yth | 0.833333 | -5.39 | C(=O)NCC(F)(F)F | 8 |
984 ,
99
