4-[(2,2-Difluoroethyl)amino]-2,5-dihydrofuran-2-one - CAS 1134834-71-1
Catalog: |
BB062727 |
Product Name: |
4-[(2,2-Difluoroethyl)amino]-2,5-dihydrofuran-2-one |
CAS: |
1134834-71-1 |
Synonyms: |
4-((2,2-Difluoroethyl)amino)furan-2(5H)-one; 3-(2,2-difluoroethylamino)-2H-furan-5-one; 2(5H)-Furanone, 4-((2,2-difluoroethyl)amino)-; 4-[(2,2-difluoroethyl)amino]-2,5-dihydrofuran-2-one; 2(5H)-Furanone, 4-[(2,2-difluoroethyl)amino]- |
IUPAC Name: | 3-(2,2-difluoroethylamino)-2H-furan-5-one |
Description: | 4-[(2,2-Difluoroethyl)amino]-2,5-dihydrofuran-2-one is a flupyradifurone metabolite. |
Molecular Weight: | 163.1 |
Molecular Formula: | C6H7F2NO2 |
Canonical SMILES: | C1C(=CC(=O)O1)NCC(F)F |
InChI: | InChI=1S/C6H7F2NO2/c7-5(8)2-9-4-1-6(10)11-3-4/h1,5,9H,2-3H2 |
InChI Key: | VLVQKHOAIGBZTD-UHFFFAOYSA-N |
References: | Li, Y., et al. J. Sep., 39, 1090 (2016). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2014090765-A1 | Use of 1-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]-5-amino-3-trifluoromethyl)-1 h-1,2,4 tfia zole for controlling nematodes in nematode-resistant crops | 20121212 |
EP-2460406-A1 | Use of fluopyram for controlling nematodes in nematode resistant crops | 20101201 |
EP-2645856-A1 | Use of fluopyram for controlling nematodes in crops and for increasing yield | 20101201 |
EP-3372081-A2 | Use of fluopyram for controlling nematodes in crops | 20101201 |
WO-2012072660-A1 | Use of fluopyram for controlling nematodes in crops and for increasing yield | 20101201 |
DK-2253610-T3 | A process for the preparation of enaminocarbonyl compounds and their use for the preparation of 4-aminobut-2-enolider | 20070918 |
EP-2039678-A1 | Method for manufacturing 4-aminobut-2-enolids | 20070918 |
EP-2203410-A1 | Method for producing 4-aminobut-2-enolides | 20070918 |
EP-2253610-A1 | Method for manufacturing 4-aminobut-2-enolids | 20070918 |
EP-2253610-B1 | Method for manufacturing of enaminocarbonyl-compounds and their use in preparing 4-aminobut-2-enolids | 20070918 |
Complexity: | 191 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.04448479 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.04448479 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 38.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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