IUPAC name
[N(E)]-4-chloro-N-[1-(1H-imidazol-1-yl)-2-propoxyethylidene]-2-(trifluoromethyl)benzenamine (formerly 1-[(1E)-1-[[4-chloro-2-(trifluoromethyl)phenyl]imino]-2-propoxyethyl]-1H-imidazole)
SMILES
CCCOC/C(=N\c1ccc(cc1C(F)(F)F)Cl)/n1ccnc1
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
triflumizole
IUPAC name
[N(E)]-4-chloro-N-[1-(1H-imidazol-1-yl)-2-propoxyethylidene]-2-(trifluoromethyl)benzenamine (formerly 1-[(1E)-1-[[4-chloro-2-(trifluoromethyl)phenyl]imino]-2-propoxyethyl]-1H-imidazole)
SMILES
CCCOC/C(=N\c1ccc(cc1C(F)(F)F)Cl)/n1ccnc1
INCHI
InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3/b21-14+
FORMULA
C15H15ClF3N3O
Common name
triflumizole
IUPAC name
[N(E)]-4-chloro-N-[1-(1H-imidazol-1-yl)-2-propoxyethylidene]-2-(trifluoromethyl)benzenamine (formerly 1-[(1E)-1-[[4-chloro-2-(trifluoromethyl)phenyl]imino]-2-propoxyethyl]-1H-imidazole)
Molecular weight
345.747
clogP
4.343
clogS
-4.920
HBond Acceptor
3
HBond Donor
0
Total Polar Surface Area
39.41
Number of Rings
2
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00016 | chlorobenzene |
|
c1ccc(cc1)Cl | 0.0718 |
| FDBF00177 | fluoroform |
|
FC(F)F | 0.0704 |
| FDBF04706 | ethanimine |
|
CC=N | 0.0024 |
| FDBF07623 | 2-iminoethanol |
|
C(C=N)O | 0.0003 |
| FDBF07625 | (2Z)-2-(4-chlorophenyl)iminoethanol |
|
C(/C=N\c1ccc(cc1)Cl)O | 0.0003 |
| FDBF07627 | 2-methoxyethanimine |
|
COCC=N | 0.0003 |
| FDBF07628 | 1-(1H-imidazol-3-ium-3-yl)-2-methoxyethanimine |
|
COCC(=N)n1cc[nH]c1 | 0.0003 |
