3009 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 8 8 7 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 11 11 10 10 12 24 12 7 20 21 11 22 23 8 10 12 9 13 14 11 15 16 17 18 19 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7 5 8 10 12 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 6.001 5.135 2.5369 3.403 3.769 4.269 4.269 4.769 4.269 5.135 4.769 3.403 5.2439 5.2439 3.794 3.794 5.135 5.2439 5.2439 4.079 3.149 4.579 3.649 2 1.2505 2.7505 1.2505 -0.2495 2.1165 -2.2136 1.2505 0.3845 -0.4815 1.7505 -1.3476 0.7505 -0.014 0.783 -0.083 -0.8801 1.1305 -1.7461 -0.949 2.6535 2.1165 -2.7505 -2.2136 0.9405 3 7 5 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 166 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 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 00000371C0633180000000000000000000000000000000000000000000000000000000000000001F00100800000C88C180140008004002000800009008000000000000000000818000000200120080000040000410000000009811000C00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,5-diamino-2-(difluoromethyl)pentanoic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,5-diamino-2-(difluoromethyl)pentanoic acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,5-diamino-2-(difluoromethyl)pentanoic acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,5-diamino-2-(difluoromethyl)pentanoic acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,5-bis(azanyl)-2-[bis(fluoranyl)methyl]pentanoic acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,5-diamino-2-(difluoromethyl)valeric acid InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 VLCYCQAOQCDTCN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -2.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 182.08668395 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C6H12F2N2O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 182.17 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(CC(C(F)F)(C(=O)O)N)CN SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(CC(C(F)F)(C(=O)O)N)CN Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 89.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 182.08668395 12 1 0 1 0 0 0 0 1 -1