57549433 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 9 9 8 6 6 6 6 1 1 1 1 1 1 1 1 1 2 3 3 4 4 4 5 5 6 6 6 7 7 5 7 4 7 5 6 8 9 10 11 12 13 14 15 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 3 5 6 8 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 2 6.3301 4.5981 3.732 2.866 3.732 5.4641 3.732 3.2646 2.4675 3.112 3.732 4.352 5.0656 5.8626 0.25 0.75 0.75 0.25 0.75 -0.75 0.25 0.87 1.225 1.225 -0.75 -1.37 -0.75 -0.2249 -0.2249 3 4 6 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 40.7 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0602180000000000000000000000000000000000000000000000000000000000000001B00000000000814A080020200000004000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1-fluoro-2-(fluoromethoxy)propane IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1-fluoro-2-(fluoromethoxy)propane IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1-fluoro-2-(fluoromethoxy)propane IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1-fluoro-2-(fluoromethoxy)propane IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1-fluoranyl-2-(fluoranylmethoxy)propane IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1-fluoro-2-(fluoromethoxy)propane InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C4H8F2O/c1-4(2-5)7-3-6/h4H,2-3H2,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 YFNMAOSOWNVCCM-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 110.05432120 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C4H8F2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 110.10 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(CF)OCF SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(CF)OCF 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 2021.05.07 110.05432120 7 1 0 1 0 0 0 0 1 -1