1.0 2016-05-19 03:47:14 UTC 2026-08-24 19:30:03 UTC Trifluormethoxyphenylisocyanate SmallMolecule Trifluormethoxyphenylisocyanate (C8H4F3NO2) is an organic compound with an average molecular weight of 203.12 g/mol. Trifluormethoxyphenylisocyanate belongs to the phenol ethers, a class of benzenoids within the organic compounds. This substance has been found in or released from one recorded source, which is drinking water and water supply (drinking water). The recorded exposure route for this compound is oral. p-(trifluoromethoxy)phenyl isocyanate C8H4F3NO2 203.12 203.019412862 1-isocyanato-4-(trifluoromethoxy)benzene 1-isocyanato-4-(trifluoromethoxy)benzene 35037-73-1 FC(F)(F)OC1=CC=C(C=C1)N=C=O InChI=1S/C8H4F3NO2/c9-8(10,11)14-7-3-1-6(2-4-7)12-5-13/h1-4H LGPKFIGMLPDYEA-UHFFFAOYSA-N Organic compounds Benzenoids Phenol ethers Phenol ethers Alkyl fluorides Hydrocarbon derivatives Isocyanates Organic oxides Organofluorides Organooxygen compounds Organopnictogen compounds Phenoxy compounds Propargyl-type 1,3-dipolar organic compounds Trihalomethanes Alkyl fluoride Alkyl halide Aromatic homomonocyclic compound Halomethane Hydrocarbon derivative Isocyanate Monocyclic benzene moiety Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organofluoride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol ether Phenoxy compound Propargyl-type 1,3-dipolar organic compound Trihalomethane Aromatic homomonocyclic compounds Detected and Not Quantified logp 3.9 logp 2.49 ALOGPS logs -3.16 ALOGPS solubility 1.42e-01 g/l ALOGPS logp 3.31 ChemAxon pka_strongest_basic -1.7 ChemAxon iupac 1-isocyanato-4-(trifluoromethoxy)benzene ChemAxon average_mass 203.12 ChemAxon mono_mass 203.019412862 ChemAxon smiles FC(F)(F)OC1=CC=C(C=C1)N=C=O ChemAxon formula C8H4F3NO2 ChemAxon inchi InChI=1S/C8H4F3NO2/c9-8(10,11)14-7-3-1-6(2-4-7)12-5-13/h1-4H ChemAxon inchikey LGPKFIGMLPDYEA-UHFFFAOYSA-N ChemAxon polar_surface_area 38.66 ChemAxon refractivity 38.2 ChemAxon polarizability 15.03 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7225ea9b08> 92298 83329