Common name
bromo(difluoro)methanol
IUPAC name
bromo(difluoro)methanol
SMILES
OC(Br)(F)F
Common name
bromo(difluoro)methanol
IUPAC name
bromo(difluoro)methanol
SMILES
OC(Br)(F)F
INCHI
InChI=1S/CHBrF2O/c2-1(3,4)5/h5H
FORMULA
CHBrF2O
Common name
bromo(difluoro)methanol
IUPAC name
bromo(difluoro)methanol
Molecular weight
146.919
clogP
1.984
clogS
-0.743
Frequency
0.0003
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
20.23
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02306 | halfenprox |
|
Insecticide | Insecticide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1xmu_ligand_1_3.mol2 | 1xmu | 0.555556 | -5.49 | OC(F)F | 4 |
| 1xoq_ligand_1_3.mol2 | 1xoq | 0.555556 | -5.48 | C(F)(F)O | 4 |
| 2fm0_ligand_1_0.mol2 | 2fm0 | 0.555556 | -5.48 | OC(F)F | 4 |
| 4fnz_ligand_1_10.mol2 | 4fnz | 0.555556 | -5.48 | OC(F)(F)F | 5 |
| 2fm5_ligand_1_0.mol2 | 2fm5 | 0.555556 | -5.47 | FC(F)O | 4 |
| 3g4l_ligand_1_3.mol2 | 3g4l | 0.555556 | -5.44 | OC(F)F | 4 |
| 1mkd_ligand_1_3.mol2 | 1mkd | 0.555556 | -5.41 | OC(F)F | 4 |
653 ,
66
