CHEBI:149764 - 1-(4-chlorophenoxy)-3-{[2-(4-ethoxyphenyl)-3,3,3-trifluoropropoxy]methyl}benzene

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ChEBI Name 1-(4-chlorophenoxy)-3-{[2-(4-ethoxyphenyl)-3,3,3-trifluoropropoxy]methyl}benzene
ChEBI ID CHEBI:149764
Definition An aromatic ether that is [3-(4-chlorophenoxy)phenyl]methanol in which the hydroxy group is replaced by a 2-(4-ethoxyphenyl)-3,3,3-trifluoropropoxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C24H22ClF3O3
Net Charge 0
Average Mass 450.880
Monoisotopic Mass 450.12096
InChI InChI=1S/C24H22ClF3O3/c1-2-30-20-10-6-18(7-11-20)23(24(26,27)28)16-29-15-17-4-3-5-22(14-17)31-21-12-8-19(25)9-13-21/h3-14,23H,2,15-16H2,1H3
InChIKey RURQAJURNPMSSK-UHFFFAOYSA-N
SMILES ClC1=CC=C(OC=2C=C(COCC(C3=CC=C(OCC)C=C3)C(F)(F)F)C=CC2)C=C1
ChEBI Ontology
Outgoing 1-(4-chlorophenoxy)-3-{[2-(4-ethoxyphenyl)-3,3,3-trifluoropropoxy]methyl}benzene (CHEBI:149764) is a aromatic ether (CHEBI:35618)
1-(4-chlorophenoxy)-3-{[2-(4-ethoxyphenyl)-3,3,3-trifluoropropoxy]methyl}benzene (CHEBI:149764) is a monochlorobenzenes (CHEBI:83403)
1-(4-chlorophenoxy)-3-{[2-(4-ethoxyphenyl)-3,3,3-trifluoropropoxy]methyl}benzene (CHEBI:149764) is a organofluorine compound (CHEBI:37143)
Incoming (R)-flufenprox (CHEBI:149762) is a 1-(4-chlorophenoxy)-3-{[2-(4-ethoxyphenyl)-3,3,3-trifluoropropoxy]methyl}benzene (CHEBI:149764)
(S)-flufenprox (CHEBI:149763) is a 1-(4-chlorophenoxy)-3-{[2-(4-ethoxyphenyl)-3,3,3-trifluoropropoxy]methyl}benzene (CHEBI:149764)
IUPAC Name
1-(4-chlorophenoxy)-3-{[2-(4-ethoxyphenyl)-3,3,3-trifluoropropoxy]methyl}benzene
Last Modified
18 May 2020
General Comment
2020-05-18 This is the entry for material with unspecified stereochemistry. There are separate entries for the racemate (flufenprox) and its individual enantiomers, (R)- and (S)-flufenprox.