1-(3,5-dichloro-4-fluorophenyl)-2,2,2-trifluoroethanone (CED0213658)

Record Information
Version1.0
Creation Date2026-08-24 18:24:55 UTC
Update Date2026-08-24 18:24:55 UTC
Accession NumberCHEM253210
Identification
Common Name1-(3,5-dichloro-4-fluorophenyl)-2,2,2-trifluoroethanone
ClassSmall Molecule
Description
1-(3,5-dichloro-4-fluorophenyl)-2,2,2-trifluoroethanone belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the chemical formula C8H2Cl2F4O and an average molecular weight of 261.00 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC8H2Cl2F4O
Average Molecular Mass261.000 g/mol
Monoisotopic Mass259.942 g/mol
CAS Registry Number1190865-44-1
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C8H2Cl2F4O/c9-4-1-3(2-5(10)6(4)11)7(15)8(12,13)14/h1-2H
InChI KeyNSWPERXXSPCRCT-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
1477.0Log mg/kg[830:2600]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureKynurenine 3-monooxygenaseP38169Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)Predicted (SEA)6.46149
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)1163.38
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)2157.36
Histone deacetylase 4 structureClick to view 3D structureHistone deacetylase 4P56524HumansPredicted (SEA)1721.17
Click to view 3D structureKynurenine 3-monooxygenaseO88867Rattus norvegicusPredicted (SEA)9.41976
Click to view 3D structureCalcium-dependent protein kinase 1P62344Plasmodium falciparum (isolate 3D7)Predicted (SEA)1728.88
Histone deacetylase 1 structureClick to view 3D structureHistone deacetylase 1Q13547HumansPredicted (SEA)3605.12
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)2660.96
Click to view 3D structureO-phosphoserine sulfhydrylaseP9WP53Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)201.552
Click to view 3D structureACCaseH9BT73Alopecurus japonicusPredicted (SEA)122.223
Bifunctional epoxide hydrolase 2 structureClick to view 3D structureBifunctional epoxide hydrolase 2P34913HumansPredicted (SEA)1639.58
Click to view 3D structureTransmembrane protease serine 4Q9NRS4HumansPredicted (SEA)179.598
Kynurenine 3-monooxygenase structureClick to view 3D structureKynurenine 3-monooxygenaseO15229HumansPredicted (SEA)12.4559
Click to view 3D structureProtoporphyrinogen oxidase, mitochondrialO24164Nicotiana tabacumPredicted (SEA)62.5908
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)6552.72
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)2646.02
Click to view 3D structureCdk-related protein kinase 6O77239Plasmodium falciparumPredicted (SEA)1103.43
Click to view 3D structureLysine--tRNA ligaseQ8IDJ8Plasmodium falciparum (isolate 3D7)Predicted (SEA)933.334
Click to view 3D structurePutative uncharacterized protein pk7O96214Plasmodium falciparumPredicted (SEA)947.814
Calcium-dependent protein kinase 4 structureClick to view 3D structureCalcium-dependent protein kinase 4Q8IBS5Plasmodium falciparum (isolate 3D7)Predicted (SEA)1238.97
Click to view 3D structureMitogen-activated protein kinaseQ25917Plasmodium falciparumPredicted (SEA)932.322
Click to view 3D structureProline--tRNA ligaseQ8I5R7Plasmodium falciparum (isolate 3D7)Predicted (SEA)941.664
Click to view 3D structureCyclic AMP-dependent transcription factor ATF-1P18846HumansPredicted (SEA)155.154
Histone deacetylase 3 structureClick to view 3D structureHistone deacetylase 3O15379HumansPredicted (SEA)3090.61
Click to view 3D structureDNA damage-inducible transcript 3 proteinP35639Mus musculusPredicted (SEA)2402.74
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available