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Molecule
Fluometuron
CAS: 2164-17-2 · C10H11F3N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2164-17-2
- Molecular Formula
- C10H11F3N2O
- Molecular Mass
- 232.20 g/mol
Identifiers
CAS Registry Number
2164-17-2
SMILES
CN(C)C(O)=Nc1cccc(C(F)(F)F)c1
InChI Key
RZILCCPWPBTYDO-UHFFFAOYSA-N
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)
Names and Synonyms
- Fluometuron Synonym
- Urea, N,N-dimethyl-N′-[3-(trifluoromethyl)phenyl]- Synonym
- Urea, 1,1-dimethyl-3-(α,α,α-trifluoro-m-tolyl)- Synonym
- N,N-Dimethyl-N′-[3-(trifluoromethyl)phenyl]urea Synonym
- C 2059 Synonym
- Cotoran Synonym
- 1,1-Dimethyl-3-(α,α,α-trifluoro-m-tolyl)urea Synonym
- Fluometuron Synonym
- N-(3-Trifluoromethylphenyl)-N′,N′-dimethylurea Synonym
- 3-(m-Trifluoromethylphenyl)-1,1-dimethylurea Synonym
- N-(m-Trifluoromethylphenyl)-N′,N′-dimethylurea Synonym
- 3-(3-Trifluoromethylphenyl)-1,1-dimethylurea Synonym
- Ciba 2059 Synonym
- Pakhtaran Synonym
- Lanex Synonym
- Cotoran 85DF Synonym
- Fluomethuron Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 232.20 g/mol | CAS Common Chemistry |
| 232.20499999999996 g/mol | RDKit | |
| 232.205 g/mol | RDKit | |
| Density | 1.39 g/cm³ | CAS Common Chemistry |
| 1.39 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Fluometuron | 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 |
| 35.6 Ų | chempirical lib | |
| LogP | 2.812500000000001 | RDKit |
| 2.8125 | RDKit | |
| Molar Refractivity | 54.85480000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3 | RDKit |
| Exact Mass | 232.082347632 g/mol | RDKit |
| Boiling Point | 280 °C (approx) @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 232.20 g/mol; density = 1.390 g/mL. Edit any field — others recompute live.
