2,2-difluoro-1,3-benzodioxole-5-carbaldehyde (CED0214164)

Record Information

Version

1.0

Creation Date

2026-08-24 19:25:39 UTC

Update Date

2026-08-24 19:25:39 UTC

SynCED ID

CED0214164

Secondary Accession Numbers

CHEM253848

Identification

Common Name

2,2-difluoro-1,3-benzodioxole-5-carbaldehyde

Class

Small Molecule

Description

2,2-difluoro-1,3-benzodioxole-5-carbaldehyde belongs to the benzodioxoles, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C8H4F2O3 and an average molecular weight of 186.11 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₈H₄F₂O₃

Average Molecular Mass

186.110 g/mol

Monoisotopic Mass

186.013 g/mol

CAS Registry Number

656-42-8

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C8H4F2O3/c9-8(10)12-6-2-1-5(4-11)3-7(6)13-8/h1-4H

InChI Key

GGERGLKEDUUSAP-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
46.0 Log mg/kg [30:81]	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
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	PubChem
CEDs000596	Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.	Agriculture & land management	PubChem
CEDs000602	Molluscicides?Molluscicides are synthetic chemicals specifically designed to control and eliminate mollusks, such as snails and slugs, which can be detrimental to crops and agricultural productivity.	Agriculture & land management	PubChem
CEDs000603	Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.	Agriculture & land management	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	Casein kinase I isoform alpha	P67827	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.25 Low confidence Statistical Significance 0.0076 Supporting Reference Compounds 1 E-value 58.9319
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1B	Q9Y463	Humans	Predicted (SEA)	Prediction Confidence Score 0.248 Applicability Domain 0.273 Low confidence Statistical Significance 0.2062 Supporting Reference Compounds 377 E-value 1605.48
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	Prediction Confidence Score 0.248 Applicability Domain 0.273 Low confidence Statistical Significance 0.3611 Supporting Reference Compounds 906 E-value 2810.98
Click to view 3D structure	Calcium release-activated calcium channel protein 1	Q5M848	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.246 Applicability Domain 0.246 Low confidence Statistical Significance 0.0017 Supporting Reference Compounds 1 E-value 13.5458
Click to view 3D structure	Dual specificity protein kinase CLK1	P49759	Humans	Predicted (SEA)	Prediction Confidence Score 0.244 Applicability Domain 0.273 Low confidence Statistical Significance 0.1577 Supporting Reference Compounds 268 E-value 1227.37
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 2	Q92630	Humans	Predicted (SEA)	Prediction Confidence Score 0.244 Applicability Domain 0.273 Low confidence Statistical Significance 0.1143 Supporting Reference Compounds 196 E-value 889.894
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.368 Statistical Significance 0.5502 Supporting Reference Compounds 1130 E-value 4283.34
Click to view 3D structure	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	Prediction Confidence Score 0.239 Applicability Domain 0.368 Statistical Significance 0.1876 Supporting Reference Compounds 315 E-value 1460.3
Click to view 3D structure	Serine/threonine-protein kinase pim-1	P11309	Humans	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.246 Low confidence Statistical Significance 0.4788 Supporting Reference Compounds 967 E-value 3727.11
Click to view 3D structure	Dual specificity protein kinase CLK1	P22518	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.235 Applicability Domain 0.246 Low confidence Statistical Significance 0.0213 Supporting Reference Compounds 56 E-value 165.663
Click to view 3D structure	Dual specificity protein kinase CLK4	O35493	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.235 Applicability Domain 0.246 Low confidence Statistical Significance 0.0129 Supporting Reference Compounds 33 E-value 100.348
Click to view 3D structure	Dual specificity protein kinase CLK2	O35491	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.235 Applicability Domain 0.246 Low confidence Statistical Significance 0.012 Supporting Reference Compounds 30 E-value 93.8083
Click to view 3D structure	Dual specificity protein kinase CLK3	O35492	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.235 Applicability Domain 0.246 Low confidence Statistical Significance 0.0051 Supporting Reference Compounds 23 E-value 39.4696
Click to view 3D structure	Casein kinase II subunit alpha	Q60737	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.232 Applicability Domain 0.232 Low confidence Statistical Significance 0.0024 Supporting Reference Compounds 1 E-value 18.9174
Click to view 3D structure	1-phosphatidylinositol 3-phosphate 5-kinase	Q9Z1T6	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.232 Applicability Domain 0.232 Low confidence Statistical Significance 0.0024 Supporting Reference Compounds 1 E-value 18.9174
Click to view 3D structure	Casein kinase II subunit beta	P67871	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.232 Applicability Domain 0.232 Low confidence Statistical Significance 0.0024 Supporting Reference Compounds 1 E-value 18.9174
Click to view 3D structure	Glycogen synthase kinase-3 alpha	Q2NL51	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.232 Applicability Domain 0.232 Low confidence Statistical Significance 0.0024 Supporting Reference Compounds 1 E-value 18.9174
Click to view 3D structure	STE20-like serine/threonine-protein kinase	O54988	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.232 Applicability Domain 0.232 Low confidence Statistical Significance 0.0024 Supporting Reference Compounds 1 E-value 18.9174
Click to view 3D structure	Casein kinase II subunit alpha'	O54833	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.232 Applicability Domain 0.232 Low confidence Statistical Significance 0.0024 Supporting Reference Compounds 1 E-value 18.9174
Click to view 3D structure	Casein kinase I isoform epsilon	P49674	Humans	Predicted (SEA)	Prediction Confidence Score 0.23 Applicability Domain 0.254 Low confidence Statistical Significance 0.1931 Supporting Reference Compounds 185 E-value 1503.58
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.23 Applicability Domain 0.368 Statistical Significance 0.7654 Supporting Reference Compounds 1498 E-value 5958.73
Click to view 3D structure	Dual specificity protein kinase CLK2	P49760	Humans	Predicted (SEA)	Prediction Confidence Score 0.229 Applicability Domain 0.255 Low confidence Statistical Significance 0.5149 Supporting Reference Compounds 727 E-value 4008.61
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 3	O43781	Humans	Predicted (SEA)	Prediction Confidence Score 0.228 Applicability Domain 0.246 Low confidence Statistical Significance 0.3914 Supporting Reference Compounds 412 E-value 3047.33
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	Prediction Confidence Score 0.226 Applicability Domain 0.244 Low confidence Statistical Significance 0.6502 Supporting Reference Compounds 1157 E-value 5061.6
Click to view 3D structure	Dual specificity protein kinase CLK3	P49761	Humans	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.255 Low confidence Statistical Significance 0.2371 Supporting Reference Compounds 167 E-value 1846.04