5290862 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 9 9 9 9 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 5 5 6 7 7 7 8 9 9 9 10 10 11 12 13 13 14 14 15 15 16 16 17 17 18 19 19 20 20 21 21 22 22 23 23 24 24 25 8 8 11 11 7 31 12 8 9 10 11 12 26 27 13 14 28 17 15 29 16 30 18 32 18 33 19 34 35 20 36 21 22 23 37 24 38 25 39 25 40 41 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 7 5 8 9 10 3 1 17 12 34 19 36 20 2 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 2.31 4.176 2.444 4.176 2.31 5.176 3.31 3.31 4.31 3.31 3.31 5.176 2.444 4.176 2.444 4.176 6.042 3.31 6.9081 7.7741 7.7741 8.6401 8.6401 9.5062 9.5062 4.098 4.1495 3.31 1.907 4.713 2 1.907 4.713 6.042 3.31 6.9081 7.2372 8.6401 8.6401 10.0431 10.0431 1.25 1.75 2.75 2.75 0.25 1.75 0.25 1.25 0.25 -0.75 2.25 0.75 -1.25 -1.25 -2.25 -2.25 0.25 -2.75 0.75 0.25 -0.75 0.75 -1.25 0.25 -0.75 -0.3326 0.8489 2.87 -0.94 -0.94 -0.2869 -2.56 -2.56 -0.37 -3.37 1.37 -1.06 1.37 -1.87 0.56 -1.06 3 8 8 8 8 8 8 8 8 8 8 8 8 7 10 10 13 14 15 16 20 20 21 22 23 24 5 13 14 15 16 18 18 21 22 23 24 25 25 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 466 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07831C0000000000000000000000000000000000000306000000000000000014000001B00000800000C448098103000800002008802A05200000200002000000888010008C808263680111080700024E00108998788C8E08E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-6,6,7,7-tetrafluoro-5-hydroxy-1,5-diphenyl-hept-1-en-3-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-6,6,7,7-tetrafluoro-5-hydroxy-1,5-diphenyl-1-hepten-3-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (<I>E</I>)-6,6,7,7-tetrafluoro-5-hydroxy-1,5-diphenylhept-1-en-3-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-6,6,7,7-tetrafluoro-5-hydroxy-1,5-diphenylhept-1-en-3-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-6,6,7,7-tetrakis(fluoranyl)-5-oxidanyl-1,5-diphenyl-hept-1-en-3-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (E)-6,6,7,7-tetrafluoro-5-hydroxy-1,5-diphenyl-hept-1-en-3-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H16F4O2/c20-17(21)19(22,23)18(25,15-9-5-2-6-10-15)13-16(24)12-11-14-7-3-1-4-8-14/h1-12,17,25H,13H2/b12-11+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 LRSCXAZTJXRCCO-VAWYXSNFSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 352.10864240 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H16F4O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 352.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)C=CC(=O)CC(C2=CC=CC=C2)(C(C(F)F)(F)F)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)/C=C/C(=O)CC(C2=CC=CC=C2)(C(C(F)F)(F)F)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 37.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 352.10864240 25 1 0 1 1 1 0 0 1 -1