IUPAC name
3-[[[5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]sulfonyl]-4,5-dihydro-5,5-dimethylisoxazole
SMILES
CC1(C)CC(=NO1)S(=O)(=O)Cc1c(C(F)(F)F)nn(C)c1OC(F)F
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
pyroxasulfone
IUPAC name
3-[[[5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]sulfonyl]-4,5-dihydro-5,5-dimethylisoxazole
SMILES
CC1(C)CC(=NO1)S(=O)(=O)Cc1c(C(F)(F)F)nn(C)c1OC(F)F
INCHI
InChI=1S/C12H14F5N3O4S/c1-11(2)4-7(19-24-11)25(21,22)5-6-8(12(15,16)17)18-20(3)9(6)23-10(13)14/h10H,4-5H2,1-3H3
FORMULA
C12H14F5N3O4S
Common name
pyroxasulfone
IUPAC name
3-[[[5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]sulfonyl]-4,5-dihydro-5,5-dimethylisoxazole
Molecular weight
391.314
clogP
2.678
clogS
-3.658
HBond Acceptor
6
HBond Donor
0
Total Polar Surface Area
82.78
Number of Rings
2
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00177 | fluoroform |
|
FC(F)F | 0.0704 |
| FDBF00283 | BLAH |
|
S(=O)O | 0.0244 |
| FDBF00317 | (dihydroxy-λ3-sulfanyl)methane |
|
C[S](O)O | 0.0141 |
| FDBF00359 | difluoromethanol |
|
FC(F)O | 0.0058 |
| FDBF06113 | 5,5-dimethyl-1,2-oxazolidine |
|
C1CC(ON1)(C)C | 0.0010 |
| FDBF06501 | 2-methyl-4H-pyrazol-3-one |
|
C1C(=O)N(N=C1)C | 0.0010 |
18 ,
2
