N-(2,2,2-trifluoroethoxy)methanamine (CED0305485)

Record Information

Version

1.0

Creation Date

2026-08-31 23:34:08 UTC

Update Date

2026-08-31 23:34:08 UTC

SynCED ID

CED0305485

Secondary Accession Numbers

CHEM351111

Identification

Common Name

N-(2,2,2-trifluoroethoxy)methanamine

Class

Small Molecule

Description

N-(2,2,2-trifluoroethoxy)methanamine is a chemical compound with the formula C3H6F3NO. It has an average molecular weight of 129.08 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₃H₆F₃NO

Average Molecular Mass

Not Available

Monoisotopic Mass

129.040 g/mol

CAS Registry Number

1522026-59-0

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CNOCC(F)(F)F

InChI Identifier

InChI=1S/C3H6F3NO/c1-7-8-2-3(4,5)6/h7H,2H2,1H3

InChI Key

HLSATNKZTVFHCQ-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
1539.0 Log mg/kg [870:2700]	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
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	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	Inward rectifier potassium channel 2	P35561	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.179 Low confidence Statistical Significance 0.121 Supporting Reference Compounds 1 E-value 942.287
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.209 Low confidence Statistical Significance 0.9442 Supporting Reference Compounds 823 E-value 7350.29
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.209 Low confidence Statistical Significance 0.9805 Supporting Reference Compounds 1498 E-value 7633.19
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.173 Applicability Domain 0.209 Low confidence Statistical Significance 0.9468 Supporting Reference Compounds 593 E-value 7370.45
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.168 Applicability Domain 0.209 Low confidence Statistical Significance 0.9848 Supporting Reference Compounds 825 E-value 7666.67
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.209 Low confidence Statistical Significance 0.9593 Supporting Reference Compounds 451 E-value 7468.15
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.209 Low confidence Statistical Significance 0.9768 Supporting Reference Compounds 955 E-value 7604.23
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.164 Applicability Domain 0.225 Low confidence Statistical Significance 0.9923 Supporting Reference Compounds 1245 E-value 7724.74
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.16 Applicability Domain 0.209 Low confidence Statistical Significance 0.9921 Supporting Reference Compounds 1130 E-value 7723.65
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.159 Applicability Domain 0.209 Low confidence Statistical Significance 0.9658 Supporting Reference Compounds 406 E-value 7518.83
Click to view 3D structure	Sodium-dependent serotonin transporter	P31652	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.157 Applicability Domain 0.209 Low confidence Statistical Significance 0.9215 Supporting Reference Compounds 297 E-value 7173.96
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	Prediction Confidence Score 0.157 Applicability Domain 0.171 Low confidence Statistical Significance 0.4288 Supporting Reference Compounds 40 E-value 3338.17
Click to view 3D structure	Voltage-dependent L-type calcium channel subunit alpha-1C	Q13936	Humans	Predicted (SEA)	Prediction Confidence Score 0.156 Applicability Domain 0.209 Low confidence Statistical Significance 0.8665 Supporting Reference Compounds 71 E-value 6746.02
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.155 Applicability Domain 0.209 Low confidence Statistical Significance 0.9853 Supporting Reference Compounds 506 E-value 7670.64
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	Prediction Confidence Score 0.155 Applicability Domain 0.182 Low confidence Statistical Significance 0.9904 Supporting Reference Compounds 793 E-value 7710.5
Click to view 3D structure	Liver carboxylesterase	Q29550	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.171 Low confidence Statistical Significance 0.2137 Supporting Reference Compounds 20 E-value 1663.79
Click to view 3D structure	Acylcarnitine hydrolase	Q91WG0	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.171 Low confidence Statistical Significance 0.0127 Supporting Reference Compounds 2 E-value 99.2578
Click to view 3D structure	Voltage-dependent T-type calcium channel subunit alpha-1H	O95180	Humans	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.192 Low confidence Statistical Significance 0.9178 Supporting Reference Compounds 90 E-value 7145.08
Click to view 3D structure	Voltage-dependent T-type calcium channel subunit alpha-1G	O43497	Humans	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.192 Low confidence Statistical Significance 0.6807 Supporting Reference Compounds 27 E-value 5299.12
Click to view 3D structure	Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2	O43314	Humans	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.152 Low confidence Statistical Significance 0.0059 Supporting Reference Compounds 1 E-value 45.6975
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.209 Low confidence Statistical Significance 0.9883 Supporting Reference Compounds 487 E-value 7694.15
Click to view 3D structure	Phosphoglycerate kinase	P00560	Saccharomyces cerevisiae S288c	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.152 Low confidence Statistical Significance 0.0016 Supporting Reference Compounds 1 E-value 12.8451
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	Prediction Confidence Score 0.151 Applicability Domain 0.156 Low confidence Statistical Significance 0.5227 Supporting Reference Compounds 55 E-value 4069.57
Click to view 3D structure	5-hydroxytryptamine receptor 6	P50406	Humans	Predicted (SEA)	Prediction Confidence Score 0.15 Applicability Domain 0.209 Low confidence Statistical Significance 0.9851 Supporting Reference Compounds 536 E-value 7669.32
Click to view 3D structure	CG8425-PA [Drosophila melanogaster]	A1ZA98	Drosophila melanogaster	Predicted (SEA)	Prediction Confidence Score 0.149 Applicability Domain 0.171 Low confidence Statistical Significance 0.0145 Supporting Reference Compounds 4 E-value 113.193