IUPAC name
(2,3,5,6-tetrafluoro-4-methylphenyl)methyl 2,2-dimethyl-3-(1-propen-1-yl)cyclopropanecarboxylate
SMILES
CC=CC1C(C(=O)OCc2c(c(c(C)c(c2F)F)F)F)C1(C)C
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
profluthrin
IUPAC name
(2,3,5,6-tetrafluoro-4-methylphenyl)methyl 2,2-dimethyl-3-(1-propen-1-yl)cyclopropanecarboxylate
SMILES
CC=CC1C(C(=O)OCc2c(c(c(C)c(c2F)F)F)F)C1(C)C
INCHI
InChI=1S/C17H18F4O2/c1-5-6-10-11(17(10,3)4)16(22)23-7-9-14(20)12(18)8(2)13(19)15(9)21/h5-6,10-11H,7H2,1-4H3
FORMULA
C17H18F4O2
Common name
profluthrin
IUPAC name
(2,3,5,6-tetrafluoro-4-methylphenyl)methyl 2,2-dimethyl-3-(1-propen-1-yl)cyclopropanecarboxylate
Molecular weight
330.317
clogP
6.108
clogS
-5.578
HBond Acceptor
2
HBond Donor
0
Total Polar Surface Area
26.3
Number of Rings
2
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00022 | prop-1-ene |
|
CC=C | 0.0299 |
| 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 |
| FDBF05268 | (1R,3S)-2,2-dimethyl-3-[(E)-prop-1-enyl]cyclopropane-1-carboxylic acid |
|
C/C=C/[C@@H]1C([C@@H]1C(=O)O)(C)C | 0.0007 |
| FDBF05269 | methyl (1R,3S)-2,2-dimethyl-3-[(E)-prop-1-enyl]cyclopropane-1-carboxylate |
|
C/C=C/[C@@H]1C([C@@H]1C(=O)OC)(C)C | 0.0007 |
5 ,
1
