16212360 1 2 3 4 5 6 7 8 11 9 8 8 6 6 1 1 1 1 3 -1 1 2 3 4 5 5 5 3 5 6 6 6 7 8 7 1 1 2 1 1 1 1 5 255 1 2 3 4 5 6 7 8 5.4641 2 4.5981 3.732 2.866 3.732 3.2646 2.4675 0.25 0.25 0.75 -0.75 0.75 0.25 1.225 1.225 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 46.8 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.408 Cactvs xemistry.com 2012.11.26 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.408 Cactvs xemistry.com 2012.11.26 0 Count Rotatable Bond 5 E_NROTBONDS 3.408 Cactvs xemistry.com 2012.11.26 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.408 Cactvs xemistry.com 2012.11.26 0000037100403120000000000000000000000000000000000000000000000000000000000000001B000000000000008080000008000000000800009008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 sodium;2-fluoroacetate IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 sodium;2-fluoroacetate IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 sodium;2-fluoroacetate IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 sodium;2-fluoranylethanoate IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 sodium;2-fluoroacetate InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/C2H3FO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 JGFYQVQAXANWJU-UHFFFAOYSA-M Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 99.993652 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 C2H2FNaO2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 100.024252 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 C(C(=O)[O-])F.[Na+] SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 C(C(=O)[O-])F.[Na+] Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 40.1 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 99.993652 6 0 0 0 0 0 0 0 2 1