54457409 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 5 7 8 10 6 11 12 9 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 2.866 2 4.5981 3.732 5.4641 6.3301 3.732 2.866 7.1962 3.732 5.0656 5.8626 6.7287 5.9316 3.9441 4.3426 3.2646 2.4675 6.8862 7.7331 7.5062 -1 0.5 1 0.5 0.5 1 -0.5 1 0.5 1.12 0.0251 0.0251 1.475 1.475 -1.0826 -0.3923 1.475 1.475 -0.0369 0.19 1.0369 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 55 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0602180000000000000000000000000000000000000000000000000000000000000001B00000000000814A080020200000004000000000000000000000000000000000000000000000000000200000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1,3-difluoro-2-propoxy-propane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1,3-difluoro-2-propoxypropane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1,3-difluoro-2-propoxypropane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1,3-difluoro-2-propoxypropane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1,3-bis(fluoranyl)-2-propoxy-propane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1,3-difluoro-2-propoxy-propane InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C6H12F2O/c1-2-3-9-6(4-7)5-8/h6H,2-5H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 WZEQNYWIEYQPRI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 138.08562133 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C6H12F2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 138.16 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCOC(CF)CF SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCOC(CF)CF Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 9.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 138.08562133 9 0 0 0 0 0 0 0 1 -1