57432861 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 9 8 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 6 2 1 2 2 3 3 3 4 4 4 5 5 6 6 7 7 7 5 3 7 4 6 8 5 9 10 11 12 13 14 15 16 17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 4 6 8 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 6.3301 2.866 3.732 4.5981 5.4641 3.732 2 3.732 4.9966 4.1996 5.0656 5.8626 3.1951 4.269 1.69 1.4631 2.31 0.75 0.75 0.25 0.75 0.25 -0.75 0.25 0.87 1.225 1.225 -0.2249 -0.2249 -1.06 -1.06 0.7869 -0.06 -0.2869 3 3 6 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 39.1 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0602100000000000000000000000000000000000000000000000000000000000000001B00000000000814A080020200000004000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C5H10FO/c1-5(7-2)3-4-6/h5H,1,3-4H2,2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 NPTJSDKMSHBBJC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 105.071568100 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C5H10FO Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 105.13 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC([CH2])CCF SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC([CH2])CCF 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 2021.05.07 105.071568100 7 1 0 1 0 0 0 0 1 -1