2,3,3-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoic acid (CED0311010)

Record Information

Version

1.0

Creation Date

2026-09-01 09:29:14 UTC

Update Date

2026-09-01 09:29:14 UTC

SynCED ID

CED0311010

Secondary Accession Numbers

CHEM356753

Identification

Common Name

2,3,3-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoic acid

Class

Small Molecule

Description

2,3,3-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoic acid is a chemical compound with the formula C6H2F10O3. It has an average molecular weight of 312.06 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₆H₂F₁₀O₃

Average Molecular Mass

Not Available

Monoisotopic Mass

311.984 g/mol

CAS Registry Number

919005-19-9

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C(C(=O)O)(C(OC(C(C(F)(F)F)(F)F)(F)F)(F)F)F

InChI Identifier

InChI=1S/C6H2F10O3/c7-1(2(17)18)3(8,9)19-6(15,16)4(10,11)5(12,13)14/h1H,(H,17,18)

InChI Key

NJHXJUQTXSNSMP-UHFFFAOYSA-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
443.0 Log mg/kg [250:790]	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	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000743	Sludge Treatment?Sludge treatment involves the processing of waste materials generated from wastewater treatment plants, which often contain a variety of organic and inorganic substances.	Wastewater, sanitation & biosolids	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem

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	Ribose-5-phosphate isomerase B	P9WKD7	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	Predicted (SEA)	Prediction Confidence Score 0.195 Applicability Domain 0.195 Low confidence Statistical Significance 4.60e-04 Supporting Reference Compounds 1 E-value 3.58106
Click to view 3D structure	6-phosphogluconolactonase	Q9GRG6	Trypanosoma brucei	Predicted (SEA)	Prediction Confidence Score 0.19 Applicability Domain 0.19 Low confidence Statistical Significance 4.70e-04 Supporting Reference Compounds 1 E-value 3.65891
Click to view 3D structure	Asc-type amino acid transporter 1	P63116	Rat	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.182 Low confidence Statistical Significance 0.0025 Supporting Reference Compounds 2 E-value 19.1509
Click to view 3D structure	Glutamate transporter homolog	O59010	Pyrococcus horikoshii (strain ATCC 700860 / DSM 12428 / JCM 9974 /NBRC 100139 / OT-3)	Predicted (SEA)	Prediction Confidence Score 0.178 Applicability Domain 0.182 Low confidence Statistical Significance 0.0056 Supporting Reference Compounds 3 E-value 43.4399
Click to view 3D structure	2-dehydro-3-deoxyphosphooctonate aldolase	Q9JZ55	Neisseria meningitidis serogroup B (strain MC58)	Predicted (SEA)	Prediction Confidence Score 0.178 Applicability Domain 0.178 Low confidence Statistical Significance 0.0022 Supporting Reference Compounds 1 E-value 17.049
Click to view 3D structure	ACCase	H9BT73	Alopecurus japonicus	Predicted (SEA)	Prediction Confidence Score 0.175 Applicability Domain 0.175 Low confidence Statistical Significance 0.1016 Supporting Reference Compounds 1 E-value 790.792
Click to view 3D structure	Inward rectifier potassium channel 2	P35561	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.174 Low confidence Statistical Significance 0.1426 Supporting Reference Compounds 1 E-value 1110.13
Click to view 3D structure	Excitatory amino acid transporter 3	P43005	Humans	Predicted (SEA)	Prediction Confidence Score 0.17 Applicability Domain 0.182 Low confidence Statistical Significance 0.1429 Supporting Reference Compounds 13 E-value 1112.31
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	Prediction Confidence Score 0.165 Applicability Domain 0.17 Low confidence Statistical Significance 0.9713 Supporting Reference Compounds 553 E-value 7561.88
Click to view 3D structure	Glutamate receptor ionotropic, kainate 1	P22756	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.164 Applicability Domain 0.167 Low confidence Statistical Significance 0.1651 Supporting Reference Compounds 45 E-value 1285.29
Click to view 3D structure	Histone deacetylase 1	Q13547	Humans	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.17 Low confidence Statistical Significance 0.9659 Supporting Reference Compounds 497 E-value 7519.53
Click to view 3D structure	Glutamate receptor ionotropic, kainate 3	P42264	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.162 Applicability Domain 0.167 Low confidence Statistical Significance 0.0836 Supporting Reference Compounds 26 E-value 650.975
Click to view 3D structure	Glutamate receptor ionotropic, kainate 1	P39086	Humans	Predicted (SEA)	Prediction Confidence Score 0.162 Applicability Domain 0.167 Low confidence Statistical Significance 0.1223 Supporting Reference Compounds 31 E-value 952.252
Click to view 3D structure	Metabotropic glutamate receptor 4	P31423	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.162 Applicability Domain 0.179 Low confidence Statistical Significance 0.4314 Supporting Reference Compounds 38 E-value 3358.1
Click to view 3D structure	Metabotropic glutamate receptor 6	P35349	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.162 Applicability Domain 0.179 Low confidence Statistical Significance 0.1961 Supporting Reference Compounds 24 E-value 1526.39
Click to view 3D structure	Metabotropic glutamate receptor 3	P31422	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.162 Applicability Domain 0.167 Low confidence Statistical Significance 0.479 Supporting Reference Compounds 39 E-value 3729.21
Click to view 3D structure	Metabotropic glutamate receptor 1	Q13255	Humans	Predicted (SEA)	Prediction Confidence Score 0.161 Applicability Domain 0.167 Low confidence Statistical Significance 0.7481 Supporting Reference Compounds 68 E-value 5824.13
Click to view 3D structure	Metabotropic glutamate receptor 1	P23385	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.16 Applicability Domain 0.167 Low confidence Statistical Significance 0.6358 Supporting Reference Compounds 45 E-value 4949.34
Click to view 3D structure	Excitatory amino acid transporter 4	O35921	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.16 Applicability Domain 0.182 Low confidence Statistical Significance 0.1107 Supporting Reference Compounds 3 E-value 861.791
Click to view 3D structure	Metabotropic glutamate receptor 8	P47743	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.16 Applicability Domain 0.167 Low confidence Statistical Significance 0.0052 Supporting Reference Compounds 2 E-value 40.4816
Click to view 3D structure	Glutamate receptor ionotropic, kainate 2	P42260	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.159 Applicability Domain 0.167 Low confidence Statistical Significance 0.0304 Supporting Reference Compounds 18 E-value 236.895
Click to view 3D structure	Metabotropic glutamate receptor 2	Q14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.159 Applicability Domain 0.167 Low confidence Statistical Significance 0.813 Supporting Reference Compounds 85 E-value 6329.45
Click to view 3D structure	Metabotropic glutamate receptor 4	Q14833	Humans	Predicted (SEA)	Prediction Confidence Score 0.159 Applicability Domain 0.179 Low confidence Statistical Significance 0.7516 Supporting Reference Compounds 69 E-value 5851.54
Click to view 3D structure	Metabotropic glutamate receptor 2	P31421	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.158 Applicability Domain 0.167 Low confidence Statistical Significance 0.7025 Supporting Reference Compounds 53 E-value 5468.75
Click to view 3D structure	Metabotropic glutamate receptor 6	O15303	Humans	Predicted (SEA)	Prediction Confidence Score 0.158 Applicability Domain 0.167 Low confidence Statistical Significance 0.5795 Supporting Reference Compounds 39 E-value 4511.52