58544083 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 9 9 8 6 6 6 6 6 1 1 1 1 1 1 1 1 1 8 2 1 2 3 3 4 4 4 5 6 6 6 7 7 7 8 8 5 5 4 8 5 6 9 7 10 11 12 13 14 15 16 17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 3 5 6 9 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 2 2.366 4.5981 3.732 2.866 3.732 3.366 5.4641 3.732 4.352 3.732 3.112 2.8291 3.676 3.903 6.001 5.4641 -0.817 0.549 -0.317 0.183 -0.317 1.183 -1.183 0.183 -0.437 1.183 1.803 1.183 -1.493 -1.72 -0.873 -0.127 0.803 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 72.8 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0602180000000000000000000000000000000000000000000000000000000000000001B00000000000814A080120200000004000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C5H9F2O/c1-4(8-3)5(2,6)7/h4H,3H2,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 SAACACGFJZYBTD-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 123.06214623 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C5H9F2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 123.12 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C(C)(F)F)O[CH2] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C(C)(F)F)O[CH2] 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 2021.05.07 123.06214623 8 1 0 1 0 0 0 0 1 -1