IUPAC name
N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)benzenamine
SMILES
CCCCN(CC)c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
benfluralin
IUPAC name
N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)benzenamine
SMILES
CCCCN(CC)c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O
INCHI
InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3
FORMULA
C13H16F3N3O4
Common name
benfluralin
IUPAC name
N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)benzenamine
Molecular weight
335.279
clogP
0.586
clogS
-4.400
HBond Acceptor
7
HBond Donor
0
Total Polar Surface Area
71.52
Number of Rings
1
Rotatable Bond
8
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00030 | butan-1-amine |
|
C(CCN)C | 0.0106 |
| FDBF00040 | ethanamine |
|
CCN | 0.0677 |
| FDBF00067 | butane |
|
CCCC | 0.0680 |
| FDBF00068 | N-methylethanamine |
|
N(CC)C | 0.0429 |
| FDBF00070 | N-ethylethanamine |
|
N(CC)CC | 0.0240 |
| FDBF00177 | fluoroform |
|
FC(F)F | 0.0704 |
7 ,
1
