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 |
|---|---|---|---|---|---|
| 1xor_ligand_1_3.mol2 | 1xor | 0.555556 | -5.21 | C(F)(F)O | 4 |
| 4twc_ligand_1_3.mol2 | 4twc | 0.555556 | -5.21 | OC(F)(F)F | 5 |
| 2hh5_ligand_1_11.mol2 | 2hh5 | 0.555556 | -5.20 | C(F)(F)(F)O | 5 |
| 2hhn_ligand_1_11.mol2 | 2hhn | 0.555556 | -5.20 | C(F)(F)(F)O | 5 |
| 4unq_ligand_1_3.mol2 | 4unq | 0.555556 | -5.20 | OC(F)(F)F | 5 |
| 2cle_ligand_1_2.mol2 | 2cle | 0.555556 | -5.19 | OC(F)(F)F | 5 |
| 4tw9_ligand_1_2.mol2 | 4tw9 | 0.555556 | -5.15 | OC(F)(F)F | 5 |
| 2x9e_ligand_1_5.mol2 | 2x9e | 0.555556 | -5.14 | C(F)(F)(F)O | 5 |
653 ,
66
