60829 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 9 9 8 8 7 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 2 3 3 4 4 5 5 5 6 6 6 7 8 8 8 9 9 10 10 11 11 11 12 12 12 13 13 14 14 15 16 17 15 16 7 9 7 29 6 8 20 7 11 18 10 9 12 19 21 22 13 14 23 24 25 26 27 28 16 30 15 31 17 17 32 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 2 1 6 5 11 7 18 2 1 7 3 6 4 10 2 1 8 5 9 12 19 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 3.732 6.732 4.5981 3.232 2.866 2.866 3.732 3.732 4.5981 4.232 2 3.732 5.232 3.732 4.232 5.732 5.232 2.3291 3.1951 2.3291 4.8101 5.2087 2.31 1.4631 1.69 3.112 3.732 4.352 2.612 5.542 3.112 5.542 3.232 1.5 -0.7321 0.634 -1.732 -0.7321 -0.2321 -2.232 -1.732 0.634 -0.2321 -3.232 0.634 1.5 2.366 1.5 2.366 -1.042 -2.542 -2.042 -2.3147 -1.6244 0.3049 0.0779 -0.769 -3.232 -3.852 -3.232 0.634 0.097 1.5 2.903 5 5 5 8 8 8 8 8 8 6 7 8 10 10 13 14 15 16 11 4 12 13 14 16 15 17 17 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 269 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07231800000000000000000000000000000000000003C4000000000000000010000001F00100800000C2CE1980E320882C006008002204200000200002000000088800808881A262280B11987700024D0019CB80790C0A00E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2S,3S,5R)-2-(3,5-difluorophenyl)-3,5-dimethyl-morpholin-2-ol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2S,3S,5R)-2-(3,5-difluorophenyl)-3,5-dimethyl-2-morpholinol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2<I>S</I>,3<I>S</I>,5<I>R</I>)-2-(3,5-difluorophenyl)-3,5-dimethylmorpholin-2-ol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2S,3S,5R)-2-(3,5-difluorophenyl)-3,5-dimethylmorpholin-2-ol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2S,3S,5R)-2-[3,5-bis(fluoranyl)phenyl]-3,5-dimethyl-morpholin-2-ol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2S,3S,5R)-2-(3,5-difluorophenyl)-3,5-dimethyl-morpholin-2-ol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C12H15F2NO2/c1-7-6-17-12(16,8(2)15-7)9-3-10(13)5-11(14)4-9/h3-5,7-8,15-16H,6H2,1-2H3/t7-,8+,12-/m1/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 OZGPVYJHWWPEFT-RGNHYFCHSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 243.10708505 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C12H15F2NO2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 243.25 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1COC(C(N1)C)(C2=CC(=CC(=C2)F)F)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C[C@@H]1CO[C@]([C@@H](N1)C)(C2=CC(=CC(=C2)F)F)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 41.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 243.10708505 17 3 3 0 0 0 0 0 1 -1