IUPAC name
N-ethyl-N-(2-methyl-2-propen-1-yl)-2,6-dinitro-4-(trifluoromethyl)benzenamine
SMILES
CCN(CC(=C)C)c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
ethalfluralin
IUPAC name
N-ethyl-N-(2-methyl-2-propen-1-yl)-2,6-dinitro-4-(trifluoromethyl)benzenamine
SMILES
CCN(CC(=C)C)c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O
INCHI
InChI=1S/C13H14F3N3O4/c1-4-17(7-8(2)3)12-10(18(20)21)5-9(13(14,15)16)6-11(12)19(22)23/h5-6H,2,4,7H2,1,3H3
FORMULA
C13H14F3N3O4
Common name
ethalfluralin
IUPAC name
N-ethyl-N-(2-methyl-2-propen-1-yl)-2,6-dinitro-4-(trifluoromethyl)benzenamine
Molecular weight
333.263
clogP
0.423
clogS
-4.038
HBond Acceptor
7
HBond Donor
0
Total Polar Surface Area
71.52
Number of Rings
1
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00022 | prop-1-ene |
|
CC=C | 0.0299 |
| FDBF00040 | ethanamine |
|
CCN | 0.0677 |
| FDBF00068 | N-methylethanamine |
|
N(CC)C | 0.0429 |
| FDBF00177 | fluoroform |
|
FC(F)F | 0.0704 |
| FDBF01488 | 2-methylprop-1-ene |
|
C=C(C)C | 0.0131 |
| FDBF05054 | 2-methylprop-2-en-1-amine |
|
NCC(=C)C | 0.0010 |
| FDBF06088 | N-ethyl-2-methylprop-2-en-1-amine |
|
C(=C)(C)CNCC | 0.0003 |
7 ,
1
