Responsive image

Common name

fludioxonil

IUPAC name

4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile

SMILES

c1cc(c2c[nH]cc2C#N)c2c(c1)OC(F)(F)O2

Compound class

Fungicide

Therapeutic area

Fungicide

Common name

fludioxonil

IUPAC name

4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile

SMILES

c1cc(c2c[nH]cc2C#N)c2c(c1)OC(F)(F)O2

INCHI

InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H

FORMULA

C12H6F2N2O2

Responsive image

Common name

fludioxonil

IUPAC name

4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile

Molecular weight

248.185

clogP

3.330

clogS

-3.760

HBond Acceptor

3

HBond Donor

1

Total Polar
Surface Area

58.04

Number of Rings

3

Rotatable Bond

2

Drug ID Common name Structure CAS SMILE Frequency
FDBF05446 2H-pyrrol-1-ium Responsive image [H][N]1=CC=CC1 0.0010
FDBF07103 (3R)-3H-pyrrol-1-ium-3-carbonitrile Responsive image [H][N]1=CC(C=C1)C#N 0.0007
FDBF07116 2,2-difluoro-1,3-benzodioxole Responsive image c1cc2c(cc1)OC(O2)(F)F 0.0003
3 , 1