156421 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 9 7 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 1 2 3 3 3 4 4 4 4 5 5 5 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 14 15 15 16 16 17 18 19 19 19 13 14 8 19 29 5 6 7 20 8 21 22 9 11 10 12 23 24 13 25 14 26 15 27 16 28 17 18 17 30 18 31 32 33 34 35 36 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 2 1 2 1 2 2 1 1 1 1 1 1 1 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 6.001 2.5369 2.5369 4.269 3.403 5.135 4.269 3.403 5.135 3.403 6.001 5.135 6.001 3.403 6.8671 5.135 6.8671 4.269 2.5369 4.269 2.7924 3.1909 4.0135 3.615 4.5981 2.866 6.001 5.672 2 7.404 5.672 7.404 4.269 3.1569 2.5369 1.9169 3 -3 2 -0 0.5 0.5 -1 1.5 1.5 -1.5 0 -1.5 2 -2.5 0.5 -2.5 1.5 -3 3 0.62 0.6077 -0.0826 1.3923 2.0826 1.81 -1.19 -0.62 -1.19 1.69 0.19 -2.81 1.81 -3.62 3 3.62 3 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 7 9 10 11 12 13 14 15 16 9 11 10 12 13 14 15 16 17 18 17 18 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 237 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A0180000000000000000000000000000000000000306000000000000000014000001D00100000000D00C1180C320082C000008002204200000200002000000888800800880820228091108420002090000888071080C00E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,3-bis(3-fluorophenyl)-N-methyl-propan-1-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,3-bis(3-fluorophenyl)-N-methyl-1-propanamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,3-bis(3-fluorophenyl)-<I>N</I>-methylpropan-1-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,3-bis(3-fluorophenyl)-N-methylpropan-1-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,3-bis(3-fluorophenyl)-N-methyl-propan-1-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3,3-bis(3-fluorophenyl)propyl-methyl-amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C16H17F2N/c1-19-9-8-16(12-4-2-6-14(17)10-12)13-5-3-7-15(18)11-13/h2-7,10-11,16,19H,8-9H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 MUGNLPWYHGOJEG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 261.13290587 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C16H17F2N Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 261.31 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CNCCC(C1=CC(=CC=C1)F)C2=CC(=CC=C2)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CNCCC(C1=CC(=CC=C1)F)C2=CC(=CC=C2)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 12 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 261.13290587 19 0 0 0 0 0 0 0 1 -1