IUPAC name
4-(methoxyimino)-α-[(3,3,3-trifluoropropyl)sulfonyl]cyclohexaneacetonitrile
SMILES
CON=C1CCC(CC1)C(C#N)S(=O)(=O)CCC(F)(F)F
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
fluhexafon
IUPAC name
4-(methoxyimino)-α-[(3,3,3-trifluoropropyl)sulfonyl]cyclohexaneacetonitrile
SMILES
CON=C1CCC(CC1)C(C#N)S(=O)(=O)CCC(F)(F)F
INCHI
InChI=1S/C12H17F3N2O3S/c1-20-17-10-4-2-9(3-5-10)11(8-16)21(18,19)7-6-12(13,14)15/h9,11H,2-7H2,1H3
FORMULA
C12H17F3N2O3S
Common name
fluhexafon
IUPAC name
4-(methoxyimino)-α-[(3,3,3-trifluoropropyl)sulfonyl]cyclohexaneacetonitrile
Molecular weight
326.335
clogP
2.606
clogS
-3.209
HBond Acceptor
5
HBond Donor
0
Total Polar Surface Area
79.52
Number of Rings
1
Rotatable Bond
7
| 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 |
| FDBF00322 | (dihydroxy-λ3-sulfanyl)ethane |
|
C(C)[S](O)O | 0.0055 |
| FDBF00974 | 1,1,1-trifluoroethane |
|
CC(F)(F)F | 0.0072 |
| FDBF05057 | 2-(4-methoxyiminocyclohexyl)acetonitrile |
|
C(C#N)[C@@H]1CC/C(=N/OC)/CC1 | 0.0003 |
| FDBF05058 | 2-methylsulfonylacetonitrile |
|
CS(=O)(=O)CC#N | 0.0003 |
| FDBF05059 | 2-ethylsulfonylacetonitrile |
|
CCS(=O)(=O)CC#N | 0.0003 |
| FDBF05060 | 3-(dihydroxy-λ3-sulfanyl)-1,1,1-trifluoropropane |
|
C(F)(F)(F)CC[S](O)O | 0.0003 |
| FDBF05061 | N-methoxycyclohexanimine |
|
CON=C1CCCCC1 | 0.0003 |
12 ,
2
