1.0 2026-09-22 05:40:39 UTC 2026-09-22 05:40:39 UTC FDB117782 Fludioxonil 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile C12H6F2N2O2 248.185 248.039733856 4-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile fludioxonil FC1(F)OC2=CC=CC(=C2O1)C1=CNC=C1C#N 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 MUJOIMFVNIBMKC-UHFFFAOYSA-N belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms. Benzodioxoles Organic compounds Organoheterocyclic compounds Benzodioxoles Aromatic heteropolycyclic compounds Alkyl fluorides Azacyclic compounds Benzenoids Heteroaromatic compounds Hydrocarbon derivatives Nitriles Organofluorides Organooxygen compounds Organopnictogen compounds Oxacyclic compounds Substituted pyrroles Alkyl fluoride Alkyl halide Aromatic heteropolycyclic compound Azacycle Benzenoid Benzodioxole Carbonitrile Heteroaromatic compound Hydrocarbon derivative Nitrile Organic nitrogen compound Organic oxygen compound Organofluoride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pyrrole Substituted pyrrole Pesticides benzodioxoles nitrile organofluorine compound pyrroles ring assembly logp 3.03 ALOGPS logs -4.12 ALOGPS solubility 1.88e-02 g/l ALOGPS logp 3.57 ChemAxon pka_strongest_acidic 14.66 ChemAxon pka_strongest_basic -5 ChemAxon iupac 4-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile ChemAxon average_mass 248.185 ChemAxon mono_mass 248.039733856 ChemAxon smiles FC1(F)OC2=CC=CC(=C2O1)C1=CNC=C1C#N ChemAxon formula C12H6F2N2O2 ChemAxon 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 ChemAxon inchikey MUJOIMFVNIBMKC-UHFFFAOYSA-N ChemAxon polar_surface_area 58.04 ChemAxon refractivity 55.51 ChemAxon polarizability 21.28 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 2227 Specdb::NmrOneD 2921 Specdb::EiMs 1321 Specdb::CMs 103800 Specdb::CMs 119858 Specdb::MsMs 94419 Specdb::MsMs 94420 Specdb::MsMs 94421 Specdb::MsMs 158442 Specdb::MsMs 158443 Specdb::MsMs 158444 Specdb::MsMs 1480064 Specdb::MsMs 1480065 Specdb::MsMs 1480066 Specdb::MsMs 1480067 Specdb::MsMs 1480068 Specdb::MsMs 1480069 Specdb::MsMs 1480070 Specdb::MsMs 2226275 Specdb::MsMs 2228448 Specdb::MsMs 2228674 Specdb::MsMs 2230756 Specdb::MsMs 2233228 Specdb::MsMs 2233303 Specdb::MsMs 2244952 Specdb::MsMs 2245179 Specdb::MsMs 2247064 Specdb::MsMs 2247220 Specdb::MsMs 2249222 Specdb::MsMs 2251147