IUPAC name
α-(4-fluorophenyl)-α-[(trimethylsilyl)methyl]-1H-1,2,4-triazole-1-ethanol
SMILES
C[Si](C)(C)CC(Cn1cncn1)(c1ccc(cc1)F)O
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
simeconazole
IUPAC name
α-(4-fluorophenyl)-α-[(trimethylsilyl)methyl]-1H-1,2,4-triazole-1-ethanol
SMILES
C[Si](C)(C)CC(Cn1cncn1)(c1ccc(cc1)F)O
INCHI
InChI=1S/C14H20FN3OSi/c1-20(2,3)9-14(19,8-18-11-16-10-17-18)12-4-6-13(15)7-5-12/h4-7,10-11,19H,8-9H2,1-3H3
FORMULA
C14H20FN3OSi
Common name
simeconazole
IUPAC name
α-(4-fluorophenyl)-α-[(trimethylsilyl)methyl]-1H-1,2,4-triazole-1-ethanol
Molecular weight
293.412
clogP
1.069
clogS
-3.467
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
50.94
Number of Rings
2
Rotatable Bond
5
