2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoic acid (CED0311353)

Record Information

Version

1.0

Creation Date

2026-09-01 10:02:40 UTC

Update Date

2026-09-01 10:02:40 UTC

SynCED ID

CED0311353

Secondary Accession Numbers

CHEM357124

Identification

Common Name

2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoic acid

Class

Small Molecule

Description

2,2,3,3,4,4-hexafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butanoic acid is a chemical compound with the formula C6HF11O3. It has an average molecular weight of 330.05 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₆HF₁₁O₃

Average Molecular Mass

Not Available

Monoisotopic Mass

329.975 g/mol

CAS Registry Number

919005-54-2

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

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

InChI Identifier

InChI=1S/C6HF11O3/c7-2(8,1(18)19)3(9,10)5(14,15)20-6(16,17)4(11,12)13/h(H,18,19)

InChI Key

YUBDPGKNGXILBQ-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
441.0 Log mg/kg [250:780]	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	Inward rectifier potassium channel 2	P35561	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.214 Applicability Domain 0.214 Low confidence Statistical Significance 0.0434 Supporting Reference Compounds 1 E-value 337.943
Click to view 3D structure	Histone deacetylase-like amidohydrolase	Q70I53	Alcaligenes sp. (strain DSM 11172)	Predicted (SEA)	Prediction Confidence Score 0.177 Applicability Domain 0.22 Low confidence Statistical Significance 0.0729 Supporting Reference Compounds 11 E-value 567.677
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	Prediction Confidence Score 0.166 Applicability Domain 0.186 Low confidence Statistical Significance 0.7857 Supporting Reference Compounds 127 E-value 6117.0
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	Prediction Confidence Score 0.164 Applicability Domain 0.179 Low confidence Statistical Significance 0.3316 Supporting Reference Compounds 40 E-value 2581.25
Click to view 3D structure	Liver carboxylesterase	Q29550	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.164 Applicability Domain 0.179 Low confidence Statistical Significance 0.1388 Supporting Reference Compounds 20 E-value 1080.31
Click to view 3D structure	Acylcarnitine hydrolase	Q91WG0	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.179 Low confidence Statistical Significance 0.0098 Supporting Reference Compounds 2 E-value 75.9808
Click to view 3D structure	Phosphoglycerate kinase	P00560	Saccharomyces cerevisiae S288c	Predicted (SEA)	Prediction Confidence Score 0.162 Applicability Domain 0.162 Low confidence Statistical Significance 9.20e-04 Supporting Reference Compounds 1 E-value 7.16213
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	Prediction Confidence Score 0.162 Applicability Domain 0.17 Low confidence Statistical Significance 0.9773 Supporting Reference Compounds 553 E-value 7608.28
Click to view 3D structure	CG8425-PA [Drosophila melanogaster]	A1ZA98	Drosophila melanogaster	Predicted (SEA)	Prediction Confidence Score 0.16 Applicability Domain 0.179 Low confidence Statistical Significance 0.0108 Supporting Reference Compounds 4 E-value 83.9993
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	P23204	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.159 Applicability Domain 0.211 Low confidence Statistical Significance 0.6386 Supporting Reference Compounds 38 E-value 4971.84
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	Prediction Confidence Score 0.159 Applicability Domain 0.186 Low confidence Statistical Significance 0.9083 Supporting Reference Compounds 192 E-value 7071.04
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	Prediction Confidence Score 0.159 Applicability Domain 0.167 Low confidence Statistical Significance 0.4262 Supporting Reference Compounds 55 E-value 3317.86
Click to view 3D structure	Juvenile hormone esterase	Q9GPG0	Manduca sexta	Predicted (SEA)	Prediction Confidence Score 0.157 Applicability Domain 0.167 Low confidence Statistical Significance 0.0117 Supporting Reference Compounds 2 E-value 91.3171
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.167 Low confidence Statistical Significance 0.8983 Supporting Reference Compounds 106 E-value 6992.88
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.182 Low confidence Statistical Significance 0.895 Supporting Reference Compounds 242 E-value 6967.74
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.182 Low confidence Statistical Significance 0.8474 Supporting Reference Compounds 165 E-value 6596.79
Click to view 3D structure	Histone deacetylase 7	Q8WUI4	Humans	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.17 Low confidence Statistical Significance 0.9248 Supporting Reference Compounds 148 E-value 7199.5
Click to view 3D structure	Histone deacetylase 1	Q13547	Humans	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.17 Low confidence Statistical Significance 0.9832 Supporting Reference Compounds 497 E-value 7654.45
Click to view 3D structure	Obtusifoliol 14-alpha demethylase	P93846	Sorghum bicolor	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.153 Low confidence Statistical Significance 0.1612 Supporting Reference Compounds 1 E-value 1255.24
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.182 Low confidence Statistical Significance 0.9484 Supporting Reference Compounds 372 E-value 7383.38
Click to view 3D structure	Histone deacetylase 8	Q9BY41	Humans	Predicted (SEA)	Prediction Confidence Score 0.15 Applicability Domain 0.17 Low confidence Statistical Significance 0.9775 Supporting Reference Compounds 317 E-value 7609.92
Click to view 3D structure	Sphingosine 1-phosphate receptor 5	Q9H228	Humans	Predicted (SEA)	Prediction Confidence Score 0.149 Applicability Domain 0.17 Low confidence Statistical Significance 0.8286 Supporting Reference Compounds 49 E-value 6450.98
Click to view 3D structure	Liver carboxylesterase B-1	Q63010	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.148 Applicability Domain 0.159 Low confidence Statistical Significance 0.0124 Supporting Reference Compounds 6 E-value 96.2995
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	Prediction Confidence Score 0.148 Applicability Domain 0.186 Low confidence Statistical Significance 0.8986 Supporting Reference Compounds 89 E-value 6995.22
Click to view 3D structure	Sphingosine 1-phosphate receptor 2	O95136	Humans	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.17 Low confidence Statistical Significance 0.9123 Supporting Reference Compounds 79 E-value 7102.26