(1S,3S)-3-((Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropane-carboxylic acid (CED0140298)

Record Information
Version1.0
Creation Date2026-04-06 16:54:33 UTC
Update Date2026-04-06 16:54:33 UTC
Accession NumberCHEM127879
Identification
Common Name(1S,3S)-3-((Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropane-carboxylic acid
ClassSmall Molecule
Description
(1S,3S)-3-((Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropane-carboxylic acid belongs to the cyclopropanecarboxylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has an average molecular weight of 242.62 g/mol. It is categorized within the superclass of organic acids and derivatives. Regarding its occurrence, it has been found in or released from one recorded source: Building & Construction (Tents Or Canopies).
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaNot Available
Average Molecular Mass242.620 g/mol
Monoisotopic MassNot Available
CAS Registry Number122406-91-1
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6-/m1/s1
InChI KeySPVZAYWHHVLPBN-AVCLAYCWSA-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
267.0Log mg/kg[150:480]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
503Tents Or CanopiesBuilding & ConstructionNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
CD81 antigen structureClick to view 3D structureCD81 antigenP60033HumansPredicted (SEA)1.47914
Click to view 3D structureDipeptidase 1P22412Sus scrofaPredicted (SEA)4.5931
Click to view 3D structureEsteraseA3QR02Chilo suppressalisPredicted (SEA)13.5458
Click to view 3D structureExtended-spectrum beta-lactamase PER-6D5HSX5Aeromonas allosaccharophilaPredicted (SEA)6.53933
Click to view 3D structureADC-14 proteinQ0VTR6Acinetobacter genomosp. 3Predicted (SEA)6.53933
Click to view 3D structureBeta-lactamase SHV-11Q7X575Escherichia coliPredicted (SEA)6.53933
Click to view 3D structureADC-16 proteinQ0VTR8Acinetobacter genomosp. 3Predicted (SEA)6.53933
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)4710.03
Click to view 3D structureJuvenile hormone esteraseQ9GPG0Manduca sextaPredicted (SEA)45.1525
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)1386.65
Click to view 3D structureInward rectifier potassium channel 2P35561Mus musculusPredicted (SEA)828.861
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)1054.23
Click to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)453.082
Click to view 3D structureCG8425-PA [Drosophila melanogaster]A1ZA98Drosophila melanogasterPredicted (SEA)50.5241
Click to view 3D structureAbscisic acid 8'-hydroxylase 3Q9FH76Arabidopsis thalianaPredicted (SEA)4.98235
Metabotropic glutamate receptor 2 structureClick to view 3D structureMetabotropic glutamate receptor 2Q14416HumansPredicted (SEA)4175.6
Click to view 3D structureEnvelope phospholipase OPG057P04021Vaccinia virus (strain Western Reserve) (VACV) (Vaccinia virus (strainWR))Predicted (SEA)414.469
Click to view 3D structureFumarate hydratase, mitochondrialP10173Sus scrofaPredicted (SEA)1.94623
Click to view 3D structureAcylcarnitine hydrolaseQ91WG0Mus musculusPredicted (SEA)55.1951
Metabotropic glutamate receptor 3 structureClick to view 3D structureMetabotropic glutamate receptor 3Q14832HumansPredicted (SEA)2619.39
Beta-lactamase TEM structureClick to view 3D structureBeta-lactamase TEMP62593Escherichia coliPredicted (SEA)55.8179
Click to view 3D structureMetabotropic glutamate receptor 2P31421Rattus norvegicusPredicted (SEA)3757.0
Click to view 3D structureMetabotropic glutamate receptor 3P31422Rattus norvegicusPredicted (SEA)2425.39
Click to view 3D structureMetabotropic glutamate receptor 6O15303HumansPredicted (SEA)3177.73
Click to view 3D structureMetallo-beta-lactamase VIM-2D1MEN9Pseudomonas aeruginosaPredicted (SEA)17.3604
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available