10420351 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 9 9 9 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 9 10 10 11 11 12 12 13 14 14 14 5 22 23 6 7 15 8 16 17 9 18 19 9 10 11 12 20 13 21 13 14 24 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 5 4 6 7 15 3 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 3.366 2 2.366 7.9939 6.9939 6.4103 6.4103 5.4641 5.4641 4.5981 4.5981 3.732 3.732 2.866 7.2756 6.9477 6.1593 6.1593 6.9477 4.5981 4.5981 8.3039 8.3039 3.1951 1.433 1.067 -0.299 -0.433 -0.433 0.3717 -1.2377 0.067 -0.933 0.567 -1.433 0.067 -0.933 0.567 -0.9853 0.6809 0.9386 -1.8046 -1.547 1.187 -2.053 -0.9699 0.1039 -1.243 3 8 8 8 8 8 8 5 8 8 9 10 11 12 4 9 10 11 12 13 13 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 214 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0720180000000000000000000000000000180000000300000000000000060010000001D00100000000C28C118143000804000008002204200000200002000000888800000880820228091118020002090000888071080C00EC0000200001000008000040000200000200008000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-(trifluoromethyl)indan-2-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-amine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-(trifluoromethyl)-2,3-dihydro-1<I>H</I>-inden-2-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [5-(trifluoromethyl)indan-2-yl]amine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C10H10F3N/c11-10(12,13)8-2-1-6-4-9(14)5-7(6)3-8/h1-3,9H,4-5,14H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 UBDQCUBRYLGYCL-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 201.07653381 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C10H10F3N Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 201.19 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C(CC2=C1C=CC(=C2)C(F)(F)F)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C(CC2=C1C=CC(=C2)C(F)(F)F)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 26 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 201.07653381 14 1 0 1 0 0 0 0 1 -1