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 |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00012 | isobutane |
|
C(C)(C)C | 0.0611 |
| FDBF00020 | 2-methylpropan-1-ol |
|
C(O)C(C)C | 0.0031 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF02914 | m-cresol |
|
Oc1cc(ccc1)C | 0.0069 |
| FDBF03474 | 4-isopropylphenol |
|
c1(ccc(cc1)C(C)C)O | 0.0010 |
| FDBF03477 | 4-tert-butylphenol |
|
CC(c1ccc(cc1)O)(C)C | 0.0014 |
| FDBF04961 | (1-methoxy-2-methylpropan-2-yl)benzene |
|
O(CC(C)(C)c1ccccc1)C | 0.0007 |
| FDBF04962 | 4-(1-methoxy-2-methylpropan-2-yl)phenol |
|
O(CC(C)(C)c1ccc(O)cc1)C | 0.0007 |
| FDBF05121 | bromo(difluoro)methanol |
|
OC(Br)(F)F | 0.0003 |
24 ,
3
