58366789 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 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 3 3 4 5 6 7 8 9 10 11 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 2 3.732 2.866 4.5981 2.366 3.366 5.4641 4.5981 4.5981 2.903 2.056 1.8291 2.8291 3.676 3.903 5.7741 6.001 5.1541 3.9781 4.5981 5.2181 -0.433 0.567 0.067 0.067 0.933 -0.799 0.567 -0.933 0.687 1.243 1.47 0.623 -1.109 -1.336 -0.489 0.0301 0.877 1.1039 -0.933 -1.553 -0.933 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 68.9 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 2 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 2-fluoro-2-isopropoxy-propane IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-fluoro-2-propan-2-yloxypropane IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-fluoro-2-propan-2-yloxypropane IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-fluoro-2-propan-2-yloxypropane IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-fluoranyl-2-propan-2-yloxy-propane IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-fluoro-2-isopropoxy-propane InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C6H13FO/c1-5(2)8-6(3,4)7/h5H,1-4H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 LFJAEDSDCSODAX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.9 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)OC(C)(C)F SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C)OC(C)(C)F 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