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Fluometuron
CAS: 2164-17-2 | C10H11F3N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2164-17-2
Molecular Formula:
C10H11F3N2O
Molecular Mass:
232.20 g/mol
Names and Synonyms:
Fluometuron
Urea, N,N-dimethyl-N′-[3-(trifluoromethyl)phenyl]-
Urea, 1,1-dimethyl-3-(α,α,α-trifluoro-m-tolyl)-
N,N-Dimethyl-N′-[3-(trifluoromethyl)phenyl]urea
C 2059
Cotoran
1,1-Dimethyl-3-(α,α,α-trifluoro-m-tolyl)urea
Fluometuron
N-(3-Trifluoromethylphenyl)-N′,N′-dimethylurea
3-(m-Trifluoromethylphenyl)-1,1-dimethylurea
N-(m-Trifluoromethylphenyl)-N′,N′-dimethylurea
3-(3-Trifluoromethylphenyl)-1,1-dimethylurea
Ciba 2059
Pakhtaran
Lanex
Cotoran 85DF
Fluomethuron
Identifiers:
SMILES:
CN(C)C(O)=Nc1cccc(C(F)(F)F)c1
InChI:
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)
Key Properties
Boiling Point
280 °C (approx) @ Press: 760 Torr
CAS Common Chemistry
Melting Point
163-164.5 °C
CAS Common Chemistry
Density
1.39 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 232.20 g/mol | CAS Common Chemistry |
| 232.20499999999996 g/mol | RDKit | |
| 232.082347632 g/mol | RDKit | |
| Density | 1.39 g/cm³ | CAS Common Chemistry |
| 1.39 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Fluometuron | CAS Common Chemistry |
| Boiling Point | 280 °C (approx) @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(NC1=CC=CC(=C1)C(F)(F)F)N(C)C | CAS Common Chemistry |
| InChI | 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) | CAS Common Chemistry |
| InChI Key | InChIKey=RZILCCPWPBTYDO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 163-164.5 °C | CAS Common Chemistry |
| Name | Fluometuron | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 35.83 Ų | RDKit |
| LogP | 2.812500000000001 | RDKit |
| Molar Refractivity | 54.85480000000002 | RDKit |
