Force
| PubChem CID | 11534837 |
| Molecular Formula | C17H14ClF7O2 |
| Structure |
|
| Synonyms |
Tefluthrin
Force 79538-32-2 Forza Tefluthrine 2HE8P42H2J Tefluthrin 100 microg/mL in Cyclohexane (+/-)-cis-4-Methyltetrafluorobenzyl 3-(2-chloro-3,3,3-trifluoro-prop-1-en-1-yl)-2,2-dimethylcyclopropane carboxylate Tefluthrin [BSI:ISO] Tefluthrine [ISO-French] DTXSID5032577 UNII-2HE8P42H2J HSDB 7135 PP993 EPA Pesticide Chemical Code 128912 TEFLUTHRIN [MI] TEFLUTHRIN [ISO] TEFLUTHRIN [HSDB] (Z)-(1S)-cis-tefluthrin BIDD:ER0633 SCHEMBL2740810 SCHEMBL4622567 CHEBI:78106 Cyclopropanecarboxylic acid, 3-((1Z)-2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, (2,3,5,6-tetrafluoro-4-methylphenyl)methyl ester, (1R,3R)-rel- PP-993 AKOS037643356 JF-6064 2,3,5,6-tetrafluoro-4-methylbenzyl (Z)-(1RS)-cis-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxylate AS-15253 NS00133929 Q424921 R-151993 (2,3,5,6-Tetrafluoro-4-methylphenyl)methyl ester (1-alpha,3-alpha(z))-(+-)- (1r,3r)-rel-3-((1z)-2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylic acid (2,3,5,6-tetrafluoro-4-methylphenyl)methyl ester (1S,3S)-2,3,5,6-tetrafluoro-4-methylbenzyl 3-((Z)-2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxylate (2,3,5,6-tetrafluoro-4-methylphenyl)methyl (1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate 2,3,5,6-tetrafluoro-4-methylbenzyl (1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate 2,3,5,6-tetrafluoro-4-methylbenzyl cis-3-((Z)-2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane carboxylate 2,3,5,6-Tetrafluoro-4-methylbenzyl-(z)-(1rs,3rs)-3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylate 4-methyl-2,3,5,6-tetrafluorobenzyl cis-3-((Z)-2-chloro-3,3.3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane carboxylate CYCLOPROPANECARBOXYLIC ACID, 3-((1Z)-2-CHLORO-3,3,3-TRIFLUORO-1-PROPEN-1-YL)-2,2-DIMETHYL-, (2,3,5,6-TETRAFLUORO-4-METHYLPHENYL)METHYL ESTER, (1R,3R)-REL- Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, (2,3,5,6-tetrafluoro-4-methylphenyl)methyl ester, (1-alpha,3-alpha(Z))-(+-)- Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, (2,3,5,6-tetrafluoro-4-methylphenyl)methyl ester, (1-alpha-3-alpha(z)-(+-)- CYCLOPROPANECARBOXYLIC ACID, 3-(2-CHLORO-3,3,3-TRIFLUORO-1-PROPENYL)-2,2-DIMETHYL-, (2,3,5,6-TETRAFLUORO-4-METHYLPHENYL)METHYL ESTER, (1.ALPHA.,3.ALPHA.(Z))-(+/-)- |
Computed Descriptors
| IUPAC Name | (2,3,5,6-tetrafluoro-4-methylphenyl)methyl (1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate |
| SMILES | CC1=C(C(=C(C(=C1F)F)COC(=O)[C@H]2[C@H](C2(C)C)/C=C(/C(F)(F)F)\Cl)F)F |
| Canonical SMILES | CC1=C(C(=C(C(=C1F)F)COC(=O)C2C(C2(C)C)C=C(C(F)(F)F)Cl)F)F |
| InChI | InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-/t8-,10-/m1/s1 |
| InChIKey | ZFHGXWPMULPQSE-SZGBIDFHSA-N |
Computed Properties
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| Molecular Weight | 418.7 g/mol |
| XLogP3 | 5.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Exact Mass | 418.057 |
| Monoisotopic Mass | 418.057 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 591 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
2 pairs of Verified P450 and Force
| Insect | Gene Symbol | Validation | Reference |
|---|---|---|---|
| Tribolium castaneum | CYP4G14 | R | |
| Tribolium castaneum | CYP4G7 | R |