9777 1 2 3 4 5 6 7 8 9 10 11 12 13 14 9 9 9 9 9 9 9 8 8 6 6 6 6 1 1 2 3 4 5 6 7 8 8 9 10 10 11 10 10 11 11 12 12 12 13 14 13 11 12 13 1 1 1 1 1 1 1 1 1 2 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 3.232 4.232 4.0981 5.0981 2 2.366 3.366 6.3301 5.4641 3.732 4.5981 2.866 5.4641 6.8671 0.549 -1.183 1.049 -0.683 -1.317 0.049 -1.683 0.183 1.683 -0.317 0.183 -0.817 0.683 0.493 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 217 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 9 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 1 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371006031C0000000000000000000000000000000000000000000000000000000000000000B000008000008000080100008000002000800009008000000000000000000010000000000100000000040000400000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 2,2,3,3,4,4,4-heptafluorobutanoic acid IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2,2,3,3,4,4,4-heptafluorobutanoic acid IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 2,2,3,3,4,4,4-heptafluorobutanoic acid IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 2,2,3,3,4,4,4-heptakis(fluoranyl)butanoic acid IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 2,2,3,3,4,4,4-heptafluorobutyric acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C4HF7O2/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H,12,13) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 YPJUNDFVDDCYIH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 2.2 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 213.986477 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C4HF7O2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 214.038362 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 37.3 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 213.986477 13 0 0 0 0 0 0 0 1 1