58695026 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 8 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 3 4 4 5 5 5 6 6 6 7 7 8 8 8 9 9 9 7 4 5 4 6 10 11 13 14 7 8 12 9 15 16 17 18 19 20 21 22 23 24 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 2 7 8 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 2 4.5981 6.3301 5.4641 3.732 7.1962 2.866 3.732 8.0622 6.7287 5.9316 3.732 5.0656 5.8626 6.7976 7.5947 3.2646 2.4675 3.112 3.732 4.352 8.3722 8.5991 7.7522 0.25 0.75 0.75 0.25 0.25 0.25 0.75 -0.75 0.75 1.225 1.225 0.87 -0.2249 -0.2249 -0.2249 -0.2249 1.225 1.225 -0.75 -1.37 -0.75 0.2131 1.06 1.2869 3 5 8 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 56.9 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0602100000000000000000000000000000000000000000000000000000000000000001B00000000000814A080020200000004000000000000000000000000000000000000000000000000000200000400000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(2-fluoro-1-methyl-ethoxy)butane IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(1-fluoropropan-2-yloxy)butane IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(1-fluoropropan-2-yloxy)butane IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(1-fluoropropan-2-yloxy)butane IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(1-fluoranylpropan-2-yloxy)butane IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(2-fluoro-1-methyl-ethoxy)butane InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C7H15FO/c1-3-4-5-9-7(2)6-8/h7H,3-6H2,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 JPLXXHXPMWUALB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 134.110693260 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C7H15FO Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 134.19 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCOC(C)CF SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCOC(C)CF Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 9.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 134.110693260 9 1 0 1 0 0 0 0 1 -1