(2s)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbonyl chloride (CED0061917)

Record Information

Version

1.0

Creation Date

2026-08-24 06:33:04 UTC

Update Date

2026-08-24 06:33:04 UTC

SynCED ID

CED0061917

Secondary Accession Numbers

CHEM245075

Identification

Common Name

(2s)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbonyl chloride

Class

Small Molecule

Description

(2s)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbonyl chloride belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the chemical formula C7H7ClF3NO2 and an average molecular weight of 229.58 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₇H₇ClF₃NO₂

Average Molecular Mass

229.580 g/mol

Monoisotopic Mass

229.012 g/mol

CAS Registry Number

36724-68-2

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C7H7ClF3NO2/c8-5(13)4-2-1-3-12(4)6(14)7(9,10)11/h4H,1-3H2/t4-/m0/s1

InChI Key

NUOYJPPISCCYDH-BYPYZUCNSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
254.0 Log mg/kg [140:450]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	Not Available
CEDs000530	Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.	Electrical & Electronic Equipment	Not Available
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	Not Available
CEDs000734	Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.	Building & Construction	Not Available
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	Not Available

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Diphosphomevalonate decarboxylase	P53602	Humans	Predicted (SEA)	Prediction Confidence Score 0.286 Applicability Domain 0.286 Low confidence Statistical Significance 2.70e-04 Supporting Reference Compounds 1 E-value 2.10193
Click to view 3D structure	Neutrophil elastase	P08246	Humans	Predicted (SEA)	Prediction Confidence Score 0.262 Applicability Domain 0.34 Statistical Significance 0.0219 Supporting Reference Compounds 81 E-value 170.645
Click to view 3D structure	Prolyl endopeptidase	P23687	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.269 Low confidence Statistical Significance 0.009 Supporting Reference Compounds 13 E-value 70.3757
Click to view 3D structure	Prolyl endopeptidase	P48147	Humans	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.269 Low confidence Statistical Significance 0.0076 Supporting Reference Compounds 37 E-value 59.399
Click to view 3D structure	Dipeptidyl peptidase 4	P27487	Humans	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.261 Low confidence Statistical Significance 0.0213 Supporting Reference Compounds 129 E-value 165.897
Click to view 3D structure	Prolyl endopeptidase	Q9XTA2	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.269 Low confidence Statistical Significance 0.0062 Supporting Reference Compounds 4 E-value 48.3444
Click to view 3D structure	Angiotensin-converting enzyme	P12822	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.318 Statistical Significance 0.0278 Supporting Reference Compounds 26 E-value 216.109
Click to view 3D structure	Dipeptidyl peptidase 2	Q9UHL4	Humans	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.261 Low confidence Statistical Significance 0.0086 Supporting Reference Compounds 41 E-value 66.7946
Click to view 3D structure	Dipeptidyl peptidase 8	Q6V1X1	Humans	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.261 Low confidence Statistical Significance 0.0108 Supporting Reference Compounds 57 E-value 83.8436
Click to view 3D structure	Angiotensin-converting enzyme	P47820	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.318 Statistical Significance 0.0256 Supporting Reference Compounds 24 E-value 199.294
Click to view 3D structure	IgA-specific serine endopeptidase autotransporter	P09790	Neisseria gonorrhoeae	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.255 Low confidence Statistical Significance 0.0036 Supporting Reference Compounds 1 E-value 28.0257
Click to view 3D structure	Prolyl endopeptidase	P27028	Elizabethkingia meningoseptica	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.255 Low confidence Statistical Significance 0.0072 Supporting Reference Compounds 1 E-value 56.2071
Click to view 3D structure	Xaa-Pro dipeptidase	P12955	Humans	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.269 Low confidence Statistical Significance 0.009 Supporting Reference Compounds 15 E-value 69.9086
Click to view 3D structure	Angiotensin-converting enzyme	P12821	Humans	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.318 Statistical Significance 0.0452 Supporting Reference Compounds 46 E-value 352.112
Click to view 3D structure	Prolyl endopeptidase FAP	Q12884	Humans	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.261 Low confidence Statistical Significance 0.009 Supporting Reference Compounds 41 E-value 69.9865
Click to view 3D structure	Dipeptidyl peptidase 9	Q86TI2	Humans	Predicted (SEA)	Prediction Confidence Score 0.243 Applicability Domain 0.261 Low confidence Statistical Significance 0.0159 Supporting Reference Compounds 55 E-value 123.858
Click to view 3D structure	Prolyl endopeptidase	O70196	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.241 Applicability Domain 0.264 Low confidence Statistical Significance 0.0072 Supporting Reference Compounds 6 E-value 56.0514
Click to view 3D structure	Peptidyl-prolyl cis-trans isomerase FKBP1A	Q62658	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.239 Applicability Domain 0.254 Low confidence Statistical Significance 0.0049 Supporting Reference Compounds 2 E-value 38.224
Click to view 3D structure	Prothrombin	P00734	Humans	Predicted (SEA)	Prediction Confidence Score 0.239 Applicability Domain 0.318 Statistical Significance 0.1934 Supporting Reference Compounds 331 E-value 1505.92
Click to view 3D structure	Xaa-Pro aminopeptidase 2	O43895	Humans	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.25 Low confidence Statistical Significance 0.0105 Supporting Reference Compounds 7 E-value 81.4303
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.268 Low confidence Statistical Significance 0.7246 Supporting Reference Compounds 1498 E-value 5641.11
Click to view 3D structure	Chymotrypsin-like elastase family member 2A	P08419	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.233 Applicability Domain 0.34 Statistical Significance 0.0207 Supporting Reference Compounds 23 E-value 161.304
Click to view 3D structure	Peptide deformylase	Q9F2F0	Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)	Predicted (SEA)	Prediction Confidence Score 0.233 Applicability Domain 0.233 Low confidence Statistical Significance 0.0022 Supporting Reference Compounds 1 E-value 16.8933
Click to view 3D structure	Legumain	Q99538	Humans	Predicted (SEA)	Prediction Confidence Score 0.233 Applicability Domain 0.261 Low confidence Statistical Significance 0.0068 Supporting Reference Compounds 3 E-value 53.0153
Click to view 3D structure	Xaa-Pro aminopeptidase 2	Q99MA2	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.232 Applicability Domain 0.259 Low confidence Statistical Significance 0.0147 Supporting Reference Compounds 7 E-value 114.75