chempirical

1,3-Diethyl 2-[[[2-(trifluoromethoxy)phenyl]amino]methylene]propanedioate

C15H16F3NO5CAS 49713-41-9347.29 g/mol

Open in Covalent MOL file
OOHNOFFFOO
AlkeneAlkyl halideEsterEtherSecondary amine

Properties

Molecular formula
C15H16F3NO5
Molar mass
347.29 g/mol
Exact mass
347.0981 Da
logP
3.01Crippen estimate
Polar surface area
73.9 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
7

Identifiers

CAS number
49713-41-9
SMILES
CCOC(=O)C(=CNc1ccccc1OC(F)(F)F)C(=O)OCC
InChIKey
FRVSBCHUUIMIOZ-UHFFFAOYSA-N
InChI
InChI=1S/C15H16F3NO5/c1-3-22-13(20)10(14(21)23-4-2)9-19-11-7-5-6-8-12(11)24-15(16,17)18/h5-9,19H,3-4H2,1-2H3

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Names and synonyms

2 names
  • Propanedioic acid, 2-[[[2-(trifluoromethoxy)phenyl]amino]methylene]-, 1,3-diethyl ester
  • Propanedioic acid, [[[2-(trifluoromethoxy)phenyl]amino]methylene]-, diethyl ester

Work with 1,3-Diethyl 2-[[[2-(trifluoromethoxy)phenyl]amino]methylene]propanedioate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diethyl benzylidenemalonate5292-53-545 % similar Ethyl oxanilate1457-85-838 % similar 2-(Trifluoromethoxy)benzeneacetic acid220239-67-838 % similar 2-(Trifluoromethoxy)benzamide127979-74-237 % similar Ethyl 2-methyl-4,4,4-trifluorocrotonate128227-97-437 % similar Ethyl 2-(ethoxymethylene)-4,4,4-trifluoro-3-oxobutanoate571-55-137 % similar Ethyl α-oxobenzenebutanoate64920-29-236 % similar Ethyl 5-(trifluoromethoxy)-1H-indole-2-carboxylate175203-82-435 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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