1.0 2016-05-25 18:19:08 UTC 2026-05-14 16:24:46 UTC Diflorasone SmallMolecule Diflorasone is an organic compound with the formula C22H28F2O5 and an average molecular weight of 410.45 g/mol. Diflorasone belongs to the hydroxysteroids, a subclass of steroids and steroid derivatives within the organic compounds. It is identified as a lipid and lipid-like molecule. This compound is found in or released from two recorded sources: corticosteroids used in healthcare, pharmaceuticals, and veterinary products, as well as other smoking requisites within household cleaning and consumer products. The recorded route of exposure for diflorasone is topical. In terms of biological activity, the compound acts on two recorded protein targets, serving as an agonist or inhibitor of the glucocorticoid receptor (NR3C1) and phospholipase A2 (PLA2G1B). C22H28F2O5 410.4515 410.190480416 (1R,2S,8S,10S,11S,13S,14R,15S,17S)-1,8-difluoro-14,17-dihydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-dien-5-one apexicon e 2557-49-5 [H][C@@]12C[C@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C InChI=1S/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13-,14-,16-,17-,19-,20-,21-,22-/m0/s1 WXURHACBFYSXBI-XHIJKXOTSA-N Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids 21-hydroxysteroids 11-beta-hydroxysteroids 17-hydroxysteroids 20-oxosteroids 3-oxo delta-1,4-steroids Alkyl fluorides Alpha-hydroxy ketones Cyclic alcohols and derivatives Cyclic ketones Delta-1,4-steroids Fluorohydrins Gluco/mineralocorticoids, progestogins and derivatives Halogenated steroids Hydrocarbon derivatives Organic oxides Organofluorides Primary alcohols Secondary alcohols Tertiary alcohols 11-beta-hydroxysteroid 11-hydroxysteroid 17-hydroxysteroid 20-oxosteroid 21-hydroxysteroid 3-oxo-delta-1,4-steroid 3-oxosteroid 6-halo-steroid 9-halo-steroid Alcohol Aliphatic homopolycyclic compound Alkyl fluoride Alkyl halide Alpha-hydroxy ketone Carbonyl group Cyclic alcohol Cyclic ketone Delta-1,4-steroid Fluorohydrin Halo-steroid Halohydrin Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organofluoride Organohalogen compound Organooxygen compound Oxosteroid Pregnane-skeleton Primary alcohol Progestogin-skeleton Secondary alcohol Tertiary alcohol Aliphatic homopolycyclic compounds 11beta-hydroxy steroid 17alpha-hydroxy steroid 20-oxo steroid 21-hydroxy steroid 3-oxo-Delta(1),Delta(4)-steroid fluorinated steroid glucocorticoid Detected and Not Quantified Diflorasone Action Pathway SMP0126227 Diflorasone Drug Metabolism Action Pathway SMP0142685 logp 1.34 logp 1.91 ALOGPS logs -3.68 ALOGPS solubility 8.53e-02 g/l ALOGPS logp 1.34 ChemAxon pka_strongest_acidic 12.42 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac (1R,2S,8S,10S,11S,13S,14R,15S,17S)-1,8-difluoro-14,17-dihydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-dien-5-one ChemAxon average_mass 410.4515 ChemAxon mono_mass 410.190480416 ChemAxon smiles [H][C@@]12C[C@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C ChemAxon formula C22H28F2O5 ChemAxon inchi InChI=1S/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13-,14-,16-,17-,19-,20-,21-,22-/m0/s1 ChemAxon inchikey WXURHACBFYSXBI-XHIJKXOTSA-N ChemAxon polar_surface_area 94.83 ChemAxon refractivity 102.32 ChemAxon polarizability 40.95 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72673f4c48> DB00223 71415 BE0000794 BE0003997