IUPAC name
1-[[2-[4-(bromodifluoromethoxy)phenyl]-2-methylpropoxy]methyl]-3-phenoxybenzene
SMILES
CC(C)(COCc1cccc(c1)Oc1ccccc1)c1ccc(cc1)OC(Br)(F)F
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
halfenprox
IUPAC name
1-[[2-[4-(bromodifluoromethoxy)phenyl]-2-methylpropoxy]methyl]-3-phenoxybenzene
SMILES
CC(C)(COCc1cccc(c1)Oc1ccccc1)c1ccc(cc1)OC(Br)(F)F
INCHI
InChI=1S/C24H23BrF2O3/c1-23(2,19-11-13-21(14-12-19)30-24(25,26)27)17-28-16-18-7-6-10-22(15-18)29-20-8-4-3-5-9-20/h3-15H,16-17H2,1-2H3
FORMULA
C24H23BrF2O3
Common name
halfenprox
IUPAC name
1-[[2-[4-(bromodifluoromethoxy)phenyl]-2-methylpropoxy]methyl]-3-phenoxybenzene
Molecular weight
477.338
clogP
6.597
clogS
-7.623
HBond Acceptor
3
HBond Donor
0
Total Polar Surface Area
27.69
Number of Rings
3
Rotatable Bond
9
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00158 | methoxymethane |
|
COC | 0.0374 |
| FDBF00304 | phenylmethanol |
|
c1(ccccc1)CO | 0.0168 |
| FDBF00848 | 3-(hydroxymethyl)phenol |
|
c1(cc(ccc1)O)CO | 0.0017 |
| FDBF01388 | methoxymethylbenzene |
|
O(C)Cc1ccccc1 | 0.0045 |
| FDBF02142 | cumene |
|
C(c1ccccc1)(C)C | 0.0045 |
| FDBF04959 | (3-phenoxyphenyl)methanol |
|
OCc1cc(ccc1)Oc1ccccc1 | 0.0007 |
| FDBF04960 | 4-(1-hydroxy-2-methylpropan-2-yl)phenol |
|
OCC(C)(C)c1ccc(O)cc1 | 0.0007 |
| FDBF05122 | [bromo(difluoro)methoxy]benzene |
|
O(C(Br)(F)F)c1ccccc1 | 0.0003 |
| FDBF05123 | bromo(difluoro)methane |
|
C(Br)(F)F | 0.0003 |
24 ,
3
