CHEBI:139040 - 2-[5-(but-3-yn-2-yloxy)-4-chloro-2-fluorophenyl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione

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ChEBI Name 2-[5-(but-3-yn-2-yloxy)-4-chloro-2-fluorophenyl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione
ChEBI ID CHEBI:139040
ChEBI ASCII Name 2-[5-(but-3-yn-2-yloxy)-4-chloro-2-fluorophenyl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione
Definition A dicarboximide that is 4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione in which the nitrogen has been substituted by a 5-(but-3-yn-2-yloxy)-4-chloro-2-fluorophenyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C18H15ClFNO3
Net Charge 0
Average Mass 347.769
Monoisotopic Mass 347.07245
InChI InChI=1S/C18H15ClFNO3/c1-3-10(2)24-16-9-15(14(20)8-13(16)19)21-17(22)11-6-4-5-7-12(11)18(21)23/h1,8-10H,4-7H2,2H3
InChIKey ONNQFZOZHDEENE-UHFFFAOYSA-N
SMILES C1CC2=C(CC1)C(N(C2=O)C3=C(C=C(C(=C3)OC(C)C#C)Cl)F)=O
ChEBI Ontology
Outgoing 2-[5-(but-3-yn-2-yloxy)-4-chloro-2-fluorophenyl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione (CHEBI:139040) is a aromatic ether (CHEBI:35618)
2-[5-(but-3-yn-2-yloxy)-4-chloro-2-fluorophenyl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione (CHEBI:139040) is a dicarboximide (CHEBI:35356)
2-[5-(but-3-yn-2-yloxy)-4-chloro-2-fluorophenyl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione (CHEBI:139040) is a monochlorobenzenes (CHEBI:83403)
2-[5-(but-3-yn-2-yloxy)-4-chloro-2-fluorophenyl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione (CHEBI:139040) is a monofluorobenzenes (CHEBI:83575)
2-[5-(but-3-yn-2-yloxy)-4-chloro-2-fluorophenyl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione (CHEBI:139040) is a pyrroline (CHEBI:23763)
2-[5-(but-3-yn-2-yloxy)-4-chloro-2-fluorophenyl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione (CHEBI:139040) is a terminal acetylenic compound (CHEBI:73477)
Incoming (R)-flumipropyn (CHEBI:139041) is a 2-[5-(but-3-yn-2-yloxy)-4-chloro-2-fluorophenyl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione (CHEBI:139040)
(S)-flumipropyn (CHEBI:139042) is a 2-[5-(but-3-yn-2-yloxy)-4-chloro-2-fluorophenyl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione (CHEBI:139040)
IUPAC Name
2-[5-(but-3-yn-2-yloxy)-4-chloro-2-fluorophenyl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione
Last Modified
14 November 2017
General Comment
2017-11-14 This is the entry for material with unspecified stereochemistry. There are separate entries for the individual enantiomers [(R)-flumipropyn and (S)-flumipropyn] and for the racemate (flumipropyn).