54504412 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 9 9 8 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 4 4 5 5 5 6 6 6 7 7 8 8 9 9 9 7 8 4 9 5 6 10 7 11 12 8 13 14 15 16 17 18 19 20 21 1 1 1 1 1 1 1 1 1 1 1 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 7.1962 2 4.5981 4.5981 5.4641 3.732 6.3301 2.866 3.732 5.135 5.8626 5.0656 4.1306 3.3335 5.9316 6.7287 2.4675 3.2646 3.422 3.1951 4.042 1 1 -0.5 0.5 1 1 0.5 0.5 -1 0.19 1.475 1.475 1.475 1.475 0.0251 0.0251 0.0251 0.0251 -0.4631 -1.31 -1.5369 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 53 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 0 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 00000371C0602180000000000000000000000000000000000000000000000000000000000000001B00000000000814A080020200000004000000000000000000000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,5-difluoro-3-methoxy-pentane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,5-difluoro-3-methoxypentane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,5-difluoro-3-methoxypentane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,5-difluoro-3-methoxypentane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,5-bis(fluoranyl)-3-methoxy-pentane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,5-difluoro-3-methoxy-pentane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C6H12F2O/c1-9-6(2-4-7)3-5-8/h6H,2-5H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 YERMILLMTWHEKY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 138.08562133 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C6H12F2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 138.16 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC(CCF)CCF SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC(CCF)CCF Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 9.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 138.08562133 9 0 0 0 0 0 0 0 1 -1