1.0 2016-05-22 07:19:42 UTC 2026-08-20 04:58:31 UTC Floctafenine SmallMolecule Floctafenine is an organic compound with the chemical formula C20H17F3N2O4 and an average molecular weight of 406.36 g/mol. Floctafenine belongs to the aminoquinolines and derivatives, a subclass of quinolines and derivatives within the organic compounds. It is further classified as an organoheterocyclic compound. The substance is found in or released from four recorded sources. These include healthcare, pharmaceuticals, and veterinary products, specifically as analgesics, as well as electrical and electronic equipment such as electrically stimulated smoking devices. Additionally, it is associated with household cleaning and consumer products, including tobacco smoke filters and non-electric simulated smoking devices. The recorded exposure route for this compound is oral. C20H17F3N2O4 406.3552 406.114041657 2,3-dihydroxypropyl 2-{[8-(trifluoromethyl)quinolin-4-yl]amino}benzoate floctafenine 23779-99-9 OCC(O)COC(=O)C1=CC=CC=C1NC1=C2C=CC=C(C2=NC=C1)C(F)(F)F InChI=1S/C20H17F3N2O4/c21-20(22,23)15-6-3-5-13-17(8-9-24-18(13)15)25-16-7-2-1-4-14(16)19(28)29-11-12(27)10-26/h1-9,12,26-27H,10-11H2,(H,24,25) APQPGQGAWABJLN-UHFFFAOYSA-N Organic compounds Organoheterocyclic compounds Quinolines and derivatives Aminoquinolines and derivatives 4-aminoquinolines 1,2-diols Alkyl fluorides Amino acids and derivatives Aminobenzoic acids and derivatives Aminopyridines and derivatives Aniline and substituted anilines Azacyclic compounds Benzoic acid esters Benzoyl derivatives Carboxylic acid esters Glycerolipids Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organofluorides Organopnictogen compounds Primary alcohols Secondary alcohols Secondary amines Vinylogous amides 1,2-diol 4-aminoquinoline Alcohol Alkyl fluoride Alkyl halide Amine Amino acid or derivatives Aminobenzoic acid or derivatives Aminopyridine Aniline or substituted anilines Aromatic heteropolycyclic compound Azacycle Benzenoid Benzoate ester Benzoic acid or derivatives Benzoyl Carboxylic acid derivative Carboxylic acid ester Glycerolipid Heteroaromatic compound Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organofluoride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary alcohol Pyridine Secondary alcohol Secondary amine Vinylogous amide Aromatic heteropolycyclic compounds Detected and Not Quantified Floctafenine Drug Metabolism Action Pathway SMP0144246 logp 4.43 logp 3.05 ALOGPS logs -4.07 ALOGPS solubility 3.46e-02 g/l ALOGPS logp 4.43 ChemAxon pka_strongest_acidic 13.62 ChemAxon pka_strongest_basic 5.84 ChemAxon iupac 2,3-dihydroxypropyl 2-{[8-(trifluoromethyl)quinolin-4-yl]amino}benzoate ChemAxon average_mass 406.3552 ChemAxon mono_mass 406.114041657 ChemAxon smiles OCC(O)COC(=O)C1=CC=CC=C1NC1=C2C=CC=C(C2=NC=C1)C(F)(F)F ChemAxon formula C20H17F3N2O4 ChemAxon inchi InChI=1S/C20H17F3N2O4/c21-20(22,23)15-6-3-5-13-17(8-9-24-18(13)15)25-16-7-2-1-4-14(16)19(28)29-11-12(27)10-26/h1-9,12,26-27H,10-11H2,(H,24,25) ChemAxon inchikey APQPGQGAWABJLN-UHFFFAOYSA-N ChemAxon polar_surface_area 91.68 ChemAxon refractivity 98.72 ChemAxon polarizability 38.19 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f722760dfd8> DB08976 3360 3243