59139268 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 9 8 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 3 4 6 7 9 5 10 11 8 12 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 3.732 2.866 4.5981 5.4641 2 2.866 6.3301 2.866 4.1996 4.9966 5.8626 5.0656 2.31 1.4631 1.69 2.246 2.866 3.486 5.9316 6.7287 0.75 0.75 0.25 0.25 0.75 0.75 -0.75 0.25 0.87 -0.2249 -0.2249 1.225 1.225 1.2869 1.06 0.2131 -0.75 -1.37 -0.75 -0.2249 -0.2249 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 45.8 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0602100000000000000000000000000000000000000000000000000000000000000001B00000000000814A080020200000004000000000000000000000000000000000000000000000000000200000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1-fluoro-3-isopropoxy-propane IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1-fluoro-3-propan-2-yloxypropane IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1-fluoro-3-propan-2-yloxypropane IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1-fluoro-3-propan-2-yloxypropane IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1-fluoranyl-3-propan-2-yloxy-propane IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1-fluoro-3-isopropoxy-propane InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C6H13FO/c1-6(2)8-5-3-4-7/h6H,3-5H2,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 IYTWMLXTXNXYGC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 120.095043196 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C6H13FO Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 120.17 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C)OCCCF SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C)OCCCF 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 2021.05.07 120.095043196 8 0 0 0 0 0 0 0 1 -1