1.0 2010-04-08 22:11:30 UTC 2017-04-03 04:52:25 UTC FDB014846 alpha-(Methoxyimino)-N-methyl-2-[[[1-[3-(trifluoromethyl)phenyl]ethoxy]imino]methyl]benzeneacetamide Agricultural fungicide MA 20565 C20H20F3N3O3 407.3863 407.145676136 (2E)-2-(methoxyimino)-N-methyl-2-{2-[(1E)-({1-[3-(trifluoromethyl)phenyl]ethoxy}imino)methyl]phenyl}acetamide (2E)-2-(methoxyimino)-N-methyl-2-{2-[(1E)-({1-[3-(trifluoromethyl)phenyl]ethoxy}imino)methyl]phenyl}acetamide 72-63-9 CNC(=O)C(=N\OC)\C1=CC=CC=C1\C=N\OC(C)C1=CC=CC(=C1)C(F)(F)F InChI=1S/C20H20F3N3O3/c1-13(14-8-6-9-16(11-14)20(21,22)23)29-25-12-15-7-4-5-10-17(15)18(26-28-3)19(27)24-2/h4-13H,1-3H3,(H,24,27)/b25-12+,26-18+ PQHXFGUTAAIHOC-XZZSYSLUSA-N belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. Trifluoromethylbenzenes Organic compounds Benzenoids Benzene and substituted derivatives Trifluoromethylbenzenes Aromatic homomonocyclic compounds Alkyl fluorides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Organopnictogen compounds Phenylacetamides Secondary carboxylic acid amides Alkyl fluoride Alkyl halide Aromatic homomonocyclic compound Carbonyl group Carboxamide group Carboxylic acid derivative Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organofluoride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenylacetamide Secondary carboxylic acid amide Trifluoromethylbenzene logp 3.81 ALOGPS logs -5.60 ALOGPS solubility 1.02e-03 g/l ALOGPS logp 4.41 ChemAxon pka_strongest_acidic 14.48 ChemAxon pka_strongest_basic 2.45 ChemAxon iupac (2E)-2-(methoxyimino)-N-methyl-2-{2-[(1E)-({1-[3-(trifluoromethyl)phenyl]ethoxy}imino)methyl]phenyl}acetamide ChemAxon average_mass 407.3863 ChemAxon mono_mass 407.145676136 ChemAxon smiles CNC(=O)C(=N\OC)\C1=CC=CC=C1\C=N\OC(C)C1=CC=CC(=C1)C(F)(F)F ChemAxon formula C20H20F3N3O3 ChemAxon inchi InChI=1S/C20H20F3N3O3/c1-13(14-8-6-9-16(11-14)20(21,22)23)29-25-12-15-7-4-5-10-17(15)18(26-28-3)19(27)24-2/h4-13H,1-3H3,(H,24,27)/b25-12+,26-18+ ChemAxon inchikey PQHXFGUTAAIHOC-XZZSYSLUSA-N ChemAxon polar_surface_area 72.28 ChemAxon refractivity 103.17 ChemAxon polarizability 39.41 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24834 Specdb::CMs 136493 Specdb::CMs 144227 Specdb::MsMs 87207 Specdb::MsMs 87208 Specdb::MsMs 87209 Specdb::MsMs 149658 Specdb::MsMs 149659 Specdb::MsMs 149660 Specdb::MsMs 2824201 Specdb::MsMs 2824202 Specdb::MsMs 2824203 Specdb::MsMs 2854936 Specdb::MsMs 2854937 Specdb::MsMs 2854938 HMDB36028 #<Reference:0x000055ce318011a0>