157919 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 9 8 8 7 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 1 1 2 2 3 3 4 4 4 5 5 5 5 6 6 7 7 7 8 8 8 9 10 10 10 11 11 12 13 13 14 14 14 15 15 16 17 17 18 16 10 15 12 13 11 14 34 6 7 19 20 9 12 8 21 22 9 23 24 16 11 13 25 26 27 17 28 29 15 30 31 32 33 18 18 35 36 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 10 2 11 13 25 1 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 4.269 4.269 4.269 2.5369 6.0812 5.135 6.6648 6.0812 5.135 3.403 2.5369 4.269 3.403 3.403 4.269 4.269 3.403 3.403 6.6186 5.8302 7.1257 7.1257 5.8302 6.6186 3.9399 1.9264 2.3249 2.7924 3.1909 3.8015 3.0044 4.8796 4.481 2 2.866 2.866 -3.75 2.25 0.25 3.25 -0.9453 -1.25 -1.75 -2.5547 -2.25 1.75 2.25 -0.75 0.75 3.75 3.25 -2.75 -1.25 -2.25 -0.636 -0.3784 -2.1647 -1.3353 -3.1216 -2.864 1.44 2.3577 1.6674 0.8577 0.1674 4.225 4.225 3.1423 3.8326 3.56 -0.94 -2.56 8 8 8 6 8 8 8 6 6 9 10 12 16 17 9 12 16 13 17 18 18 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 277 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07231000000000000000000000000000001800000003C4000000000000060010000001F00100000000C14E1980E300682C004008002204200000208002020000888800E08880F262284301A873820A6D0119AA80780C0B00E80000100001800000000020000300000000008000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2S)-2-[(7-fluoroindan-4-yl)oxymethyl]morpholine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2S)-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]morpholine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2<I>S</I>)-2-[(7-fluoro-2,3-dihydro-1<I>H</I>-inden-4-yl)oxymethyl]morpholine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2S)-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]morpholine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2S)-2-[(7-fluoranyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]morpholine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2S)-2-[(7-fluoroindan-4-yl)oxymethyl]morpholine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H18FNO2/c15-13-4-5-14(12-3-1-2-11(12)13)18-9-10-8-16-6-7-17-10/h4-5,10,16H,1-3,6-9H2/t10-/m0/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 HTODIQZHVCHVGM-JTQLQIEISA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 251.13215698 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H18FNO2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 251.30 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CC2=C(C=CC(=C2C1)F)OCC3CNCCO3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CC2=C(C=CC(=C2C1)F)OC[C@@H]3CNCCO3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 30.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 251.13215698 18 1 1 0 0 0 0 0 1 -1