[(z)-14,14,14-trifluorotetradec-11-enyl] acetate (CED0255234)

Record Information
Version1.0
Creation Date2026-08-28 21:34:39 UTC
Update Date2026-08-28 21:34:39 UTC
SynCED IDCED0255234
Secondary Accession Numbers
  • CHEM299983
Identification
Common Name[(z)-14,14,14-trifluorotetradec-11-enyl] acetate
ClassSmall Molecule
Description
[(z)-14,14,14-trifluorotetradec-11-enyl] acetate belongs to the carboxylic acid derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the formula C16H27F3O2 and an average molecular weight of 308.38 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC16H27F3O2
Average Molecular MassNot Available
Monoisotopic Mass308.196 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC(=O)OCCCCCCCCCCC=CCC(F)(F)F
InChI IdentifierInChI=1S/C16H27F3O2/c1-15(20)21-14-12-10-8-6-4-2-3-5-7-9-11-13-16(17,18)19/h9,11H,2-8,10,12-14H2,1H3/b11-9-
InChI KeyQVAHKGHMXZIUOO-LUAWRHEFSA-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
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
2127.0 Log mg/kg [1200:3800]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.Agriculture & land managementPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureEsteraseA3QR02Chilo suppressalisPredicted (SEA)
Prediction Confidence Score
0.39
Applicability Domain
0.39
Statistical Significance
9.00e-05
Supporting Reference Compounds
1
E-value
0.700643
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)
Prediction Confidence Score
0.311
Applicability Domain
0.325
Statistical Significance
0.0136
Supporting Reference Compounds
192
E-value
105.953
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)
Prediction Confidence Score
0.311
Applicability Domain
0.325
Statistical Significance
0.0104
Supporting Reference Compounds
127
E-value
81.1189
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)
Prediction Confidence Score
0.307
Applicability Domain
0.325
Statistical Significance
0.0081
Supporting Reference Compounds
89
E-value
63.3693
Click to view 3D structureLysophosphatidic acid receptor 4Q8BLG2Mus musculusPredicted (SEA)
Prediction Confidence Score
0.302
Applicability Domain
0.302
Statistical Significance
8.30e-04
Supporting Reference Compounds
1
E-value
6.46149
Click to view 3D structureLysophosphatidic acid receptor 3Q9UBY5HumansPredicted (SEA)
Prediction Confidence Score
0.301
Applicability Domain
0.357
Statistical Significance
0.0013
Supporting Reference Compounds
21
E-value
10.3539
Fatty-acid amide hydrolase 1 structureClick to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.294
Applicability Domain
0.341
Statistical Significance
0.0113
Supporting Reference Compounds
102
E-value
87.9696
Transient receptor potential cation channel subfamily V member 2 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 2Q9WUD2Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.293
Applicability Domain
0.325
Statistical Significance
0.0025
Supporting Reference Compounds
21
E-value
19.8516
Click to view 3D structureCannabinoid receptor 1P20272Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.289
Applicability Domain
0.325
Statistical Significance
0.0078
Supporting Reference Compounds
83
E-value
60.411
Lysophosphatidic acid receptor 2 structureClick to view 3D structureLysophosphatidic acid receptor 2Q9HBW0HumansPredicted (SEA)
Prediction Confidence Score
0.285
Applicability Domain
0.357
Statistical Significance
0.0015
Supporting Reference Compounds
30
E-value
11.8331
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)
Prediction Confidence Score
0.284
Applicability Domain
0.341
Statistical Significance
0.0237
Supporting Reference Compounds
106
E-value
184.892
Lysophosphatidic acid receptor 1 structureClick to view 3D structureLysophosphatidic acid receptor 1Q92633HumansPredicted (SEA)
Prediction Confidence Score
0.28
Applicability Domain
0.357
Statistical Significance
0.002
Supporting Reference Compounds
31
E-value
15.8034
Transient receptor potential cation channel subfamily V member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 1Q8NER1HumansPredicted (SEA)
Prediction Confidence Score
0.268
Applicability Domain
0.302
Statistical Significance
0.025
Supporting Reference Compounds
104
E-value
194.312
Acylcarnitine hydrolase structureClick to view 3D structureAcylcarnitine hydrolaseQ91WG0Mus musculusPredicted (SEA)
Prediction Confidence Score
0.263
Applicability Domain
0.31
Statistical Significance
4.90e-04
Supporting Reference Compounds
2
E-value
3.81461
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)
Prediction Confidence Score
0.263
Applicability Domain
0.31
Statistical Significance
0.0028
Supporting Reference Compounds
40
E-value
21.6421
Cannabinoid receptor 1 structureClick to view 3D structureCannabinoid receptor 1P21554HumansPredicted (SEA)
Prediction Confidence Score
0.26
Applicability Domain
0.277 Low confidence
Statistical Significance
0.0641
Supporting Reference Compounds
200
E-value
499.325
Cannabinoid receptor 2 structureClick to view 3D structureCannabinoid receptor 2P34972HumansPredicted (SEA)
Prediction Confidence Score
0.256
Applicability Domain
0.277 Low confidence
Statistical Significance
0.0631
Supporting Reference Compounds
175
E-value
491.618
Putative P2Y purinoceptor 10 structureClick to view 3D structurePutative P2Y purinoceptor 10O00398HumansPredicted (SEA)
Prediction Confidence Score
0.255
Applicability Domain
0.283 Low confidence
Statistical Significance
0.0016
Supporting Reference Compounds
10
E-value
12.2223
Autotaxin structureClick to view 3D structureAutotaxinQ13822HumansPredicted (SEA)
Prediction Confidence Score
0.249
Applicability Domain
0.302
Statistical Significance
0.0065
Supporting Reference Compounds
40
E-value
50.4463
Click to view 3D structureCG8425-PA [Drosophila melanogaster]A1ZA98Drosophila melanogasterPredicted (SEA)
Prediction Confidence Score
0.247
Applicability Domain
0.31
Statistical Significance
9.60e-04
Supporting Reference Compounds
4
E-value
7.47353
Click to view 3D structureCannabinoid receptor 1P47746Mus musculusPredicted (SEA)
Prediction Confidence Score
0.247
Applicability Domain
0.264 Low confidence
Statistical Significance
0.0099
Supporting Reference Compounds
42
E-value
77.1486
Click to view 3D structureFatty-acid amide hydrolase 1O08914Mus musculusPredicted (SEA)
Prediction Confidence Score
0.246
Applicability Domain
0.283 Low confidence
Statistical Significance
0.0284
Supporting Reference Compounds
46
E-value
220.78
Free fatty acid receptor 4 structureClick to view 3D structureFree fatty acid receptor 4Q5NUL3HumansPredicted (SEA)
Prediction Confidence Score
0.245
Applicability Domain
0.302
Statistical Significance
0.0387
Supporting Reference Compounds
63
E-value
301.51
Click to view 3D structureCytochrome P450 2C23P24470Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.244
Applicability Domain
0.244 Low confidence
Statistical Significance
7.70e-04
Supporting Reference Compounds
1
E-value
5.99439
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)
Prediction Confidence Score
0.242
Applicability Domain
0.325
Statistical Significance
0.1865
Supporting Reference Compounds
373
E-value
1452.2
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available