IUPAC name
[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl (1R,3R)-2,2-dimethyl-3-[(Z)-1-propen-1-yl]cyclopropanecarboxylate
SMILES
C/C=C\[C@@H]1[C@@H](C(=O)OCc2c(c(c(COC)c(c2F)F)F)F)C1(C)C
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
epsilon-metofluthrin
IUPAC name
[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl (1R,3R)-2,2-dimethyl-3-[(Z)-1-propen-1-yl]cyclopropanecarboxylate
SMILES
C/C=C\[C@@H]1[C@@H](C(=O)OCc2c(c(c(COC)c(c2F)F)F)F)C1(C)C
INCHI
InChI=1S/C18H20F4O3/c1-5-6-11-12(18(11,2)3)17(23)25-8-10-15(21)13(19)9(7-24-4)14(20)16(10)22/h5-6,11-12H,7-8H2,1-4H3/b6-5-/t11-,12+/m1/s1
FORMULA
C18H20F4O3
Common name
epsilon-metofluthrin
IUPAC name
[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl (1R,3R)-2,2-dimethyl-3-[(Z)-1-propen-1-yl]cyclopropanecarboxylate
Molecular weight
360.343
clogP
6.074
clogS
-5.704
HBond Acceptor
3
HBond Donor
0
Total Polar Surface Area
35.53
Number of Rings
2
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00022 | prop-1-ene |
|
CC=C | 0.0299 |
| FDBF00158 | methoxymethane |
|
COC | 0.0374 |
| FDBF03267 | methyl (1R)-2,2-dimethylcyclopropanecarboxylate |
|
C1(CC1C(=O)OC)(C)C | 0.0110 |
| FDBF04528 | (1R)-2,2-dimethylcyclopropane-1-carboxylic acid |
|
CC1([C@@H](C1)C(=O)O)C | 0.0141 |
| FDBF04943 | (1R,3R)-2,2-dimethyl-3-[(Z)-prop-1-enyl]cyclopropane-1-carboxylic acid |
|
[C@@H]1(C([C@@H]1C(=O)O)(C)C)/C=C\C | 0.0003 |
| FDBF04944 | methyl (1R,3R)-2,2-dimethyl-3-[(Z)-prop-1-enyl]cyclopropane-1-carboxylate |
|
[C@@H]1(C([C@@H]1C(=O)OC)(C)C)/C=C\C | 0.0003 |
6 ,
1
