SynCED: Fluometuron

Record Information

Version

1.0

Creation Date

2014-08-29 06:51:43 UTC

Update Date

2026-08-17 22:14:22 UTC

Accession Number

CHEM003471

Identification

Common Name

Fluometuron

Class

Small Molecule

Description

Fluometuron is a soil applied herbicide used to control annual grasses and broad-leaved weeds. In the United States it was approved for use on cotton and sugarcane crops in 1974, but since 1986 is only approved for use on cotton. Its mode of action is selective and inhibits photosynthesis.

Contaminant Sources

Clean Air Act Chemicals
HPV EPA Chemicals
IARC Carcinogens Group 3
My Exposome Chemicals
STOFF IDENT Compounds
T3DB toxins
ToxCast & Tox21 Chemicals

Contaminant Type

Amine
Herbicide
Organic Compound
Organofluoride
Pesticide
Synthetic Compound

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Pakhtaron	MeSH
1,1-Dimethyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)urea	MeSH
Cotoran 80 WP	MeSH
Fluometuron monohydrochloride	MeSH
Fluometuron monoacetate	MeSH
Ftormeturon	MeSH
Cotoran	MeSH

Chemical Formula

C₁₀H₁₁F₃N₂O

Average Molecular Mass

232.202 g/mol

Monoisotopic Mass

232.082 g/mol

CAS Registry Number

2164-17-2

IUPAC Name

3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]urea

Traditional Name

fluometuron

SMILES

CN(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F

InChI Identifier

InChI=1S/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)

InChI Key

RZILCCPWPBTYDO-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as n-phenylureas. N-phenylureas are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

N-phenylureas

Direct Parent

N-phenylureas

Alternative Parents

Substituents

N-phenylurea
Trifluoromethylbenzene
Carbonic acid derivative
Urea
Alkyl fluoride
Organic oxide
Hydrocarbon derivative
Organopnictogen compound
Organooxygen compound
Organonitrogen compound
Organofluoride
Organohalogen compound
Organic oxygen compound
Organic nitrogen compound
Carbonyl group
Alkyl halide
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

ureas (CHEBI:82012 )
Phenylurea herbicides (C18853 )

Biological Properties

Status

Detected and Not Quantified

Origin

Exogenous

Cellular Locations

Cytoplasm
Extracellular
Nuclear Matrix
Nuclear Membrane
Nucleoplasm

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Name	SMPDB Link	KEGG Link
Metabolic Pathways	Not Available	Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Solid

Appearance

White powder.

Experimental Properties

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

Predicted Properties

Property	Value	Source
Water Solubility	0.13 g/L	ALOGPS
logP	2.16	ALOGPS
logP	2.2	ChemAxon
logS	-3.2	ALOGPS
pKa (Strongest Acidic)	13.22	ChemAxon
pKa (Strongest Basic)	-3.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	32.34 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	55.36 m³·mol⁻¹	ChemAxon
Polarizability	20.34 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Toxicity Profile

Route of Exposure

Not Available

Mechanism of Toxicity

Not Available

Metabolism

Not Available

Toxicity Values

Not Available

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

3, not classifiable as to its carcinogenicity to humans. (1)

Uses/Sources

This is a man-made compound that is used as a pesticide.

Minimum Risk Level

Not Available

Health Effects

Not Available

Symptoms

Not Available

Treatment

Not Available

Concentrations

Not Available

External Links

DrugBank ID

Not Available

HMDB ID

Not Available

FooDB ID

Not Available

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

Not Available

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Fluometuron

Chemspider ID

Not Available

ChEBI ID

Not Available

PubChem Compound ID

16562

Kegg Compound ID

C18853

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

Fluometuron (CHEM003471)

Structure for CHEM003471: Fluometuron