54194818 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 9 8 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 5 5 5 6 6 6 4 3 6 4 5 7 8 9 10 11 12 13 14 15 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 4 5 7 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 2 4.5981 3.732 2.866 3.732 5.4641 3.732 3.2646 2.4675 3.112 3.732 4.352 5.1541 6.001 5.7741 0.25 0.75 0.25 0.75 -0.75 0.25 0.87 1.225 1.225 -0.75 -1.37 -0.75 -0.2869 -0.06 0.7869 3 3 5 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 30.7 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 00000371C0602100000000000000000000000000000000000000000000000000000000000000001B00000000000814A080020200000004000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1-fluoro-2-methoxy-propane IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1-fluoro-2-methoxypropane IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1-fluoro-2-methoxypropane IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1-fluoro-2-methoxypropane IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1-fluoranyl-2-methoxy-propane IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1-fluoro-2-methoxy-propane InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C4H9FO/c1-4(3-5)6-2/h4H,3H2,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 JHOFOYLFVCONFW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 0.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 92.063743068 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C4H9FO Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 92.11 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(CF)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(CF)OC 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 92.063743068 6 1 0 1 0 0 0 0 1 -1