Common name
[bromo(difluoro)methoxy]benzene
IUPAC name
[bromo(difluoro)methoxy]benzene
SMILES
O(C(Br)(F)F)c1ccccc1
Common name
[bromo(difluoro)methoxy]benzene
IUPAC name
[bromo(difluoro)methoxy]benzene
SMILES
O(C(Br)(F)F)c1ccccc1
INCHI
InChI=1S/C7H5BrF2O/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H
FORMULA
C7H5BrF2O
Common name
[bromo(difluoro)methoxy]benzene
IUPAC name
[bromo(difluoro)methoxy]benzene
Molecular weight
223.015
clogP
2.625
clogS
-2.847
Frequency
0.0003
HBond Acceptor
1
HBond Donor
0
Total Polar
Surface Area
9.23
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02306 | halfenprox |
|
Insecticide | Insecticide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4fnz_ligand_2_54.mol2 | 4fnz | 0.757576 | -7.20 | O(C(F)(F)F)c1ccccc1 | 11 |
| 2cli_ligand_2_1.mol2 | 2cli | 0.757576 | -6.94 | c1(ccccc1)OC(F)(F)F | 11 |
| 2cll_ligand_2_1.mol2 | 2cll | 0.757576 | -6.93 | O(c1ccccc1)C(F)(F)F | 11 |
| 4od0_ligand_2_0.mol2 | 4od0 | 0.757576 | -6.93 | c1(ccccc1)OC(F)(F)F | 11 |
| 1xmu_ligand_2_11.mol2 | 1xmu | 0.757576 | -6.86 | O(c1ccccc1)C(F)F | 10 |
| 2fm0_ligand_2_0.mol2 | 2fm0 | 0.757576 | -6.84 | O(C(F)F)c1ccccc1 | 10 |
| 1xoq_ligand_2_11.mol2 | 1xoq | 0.757576 | -6.83 | C(F)(F)Oc1ccccc1 | 10 |
1052 ,
106
