Tau-fluvalinate
| PubChem CID | 91768 |
| Molecular Formula | C26H22ClF3N2O3 |
| Structure |
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| Synonyms |
Tau-fluvalinate
102851-06-9 Fluvarol Fluwarol Klartan Tau-fluvalinate [ISO] Minadox DTXSID7037555 CHEBI:39367 cyano(3-phenoxyphenyl)methyl (2-chloro-4-(trifluoromethyl)phenyl)-D-valinate SPUR [cyano-(3-phenoxyphenyl)methyl] (2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate D-Valine, N-[2-chloro-4-(trifluoromethyl)phenyl]-,cyano(3-phenoxyphenyl)methyl ester R533F643E8 cyano(3-phenoxyphenyl)methyl N-[2-chloro-4-(trifluoromethyl)phenyl]-D-valinate D-Valine, N-(2-chloro-4-(trifluoromethyl)phenyl)-, cyano(3-phenoxyphenyl)methyl ester Mavrik 2E Mavrik 25EC Mavrik EW (RS)-alpha-Cyano-3-phenoxybenzyl N-(2-chloro-alpha,alpha,alpha-trifluoro-p-tolyl)-D-valinate N-[2-chloro-4-(trifluoromethyl)phenyl]-D-valine cyano(3-phenoxyphenyl)methyl ester Spur 22EW UNII-R533F643E8 .TAU.-FLUVALINATE tau-Fluvalinate 10 microg/mL in Cyclohexane (2R)-FLUVALINATE tau-Fluvalinate 100 microg/mL in Cyclohexane SCHEMBL27925 CHEMBL1895592 DTXCID5017555 AMY33468 EX-A1444 tau-Fluvalinate, analytical standard Tox21_300722 AKOS015896164 NCGC00163840-01 NCGC00163840-02 NCGC00254628-01 [cyano-(3-phenoxyphenyl)methyl] (2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-butanoate CAS-102851-06-9 NS00098485 C14030 C18790 A800631 tau-Fluvalinate, PESTANAL(R), analytical standard Q27119834 (rs)-cyano-(3-phenoxyphenyl)methyl N-(2-chloro-4-trifluoromethylphenyl)-d-valinate |
Computed Descriptors
| IUPAC Name | [cyano-(3-phenoxyphenyl)methyl] (2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate |
| SMILES | CC(C)[C@H](C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)NC3=C(C=C(C=C3)C(F)(F)F)Cl |
| Canonical SMILES | CC(C)C(C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)NC3=C(C=C(C=C3)C(F)(F)F)Cl |
| InChI | InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m1/s1 |
| InChIKey | INISTDXBRIBGOC-XMMISQBUSA-N |
Computed Properties
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| Molecular Weight | 502.9 g/mol |
| XLogP3 | 7.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 9 |
| Exact Mass | 502.127 |
| Monoisotopic Mass | 502.127 |
| Topological Polar Surface Area | 71.4 |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 735 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
1 pairs of Verified P450 and Tau-fluvalinate
| Insect | Gene Symbol | Validation | Reference |
|---|---|---|---|
| Brassicogethes aeneus | CYP6BQ23 | X |