71315521 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 9 9 9 8 8 8 8 8 8 7 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 5 5 6 6 7 7 8 8 9 10 10 10 11 11 11 12 12 13 13 14 14 15 16 16 17 18 18 18 14 15 12 27 13 28 15 29 16 30 17 11 17 26 12 15 19 13 20 14 21 16 22 23 24 25 18 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11 10 12 15 19 3 1 12 5 13 11 20 2 1 13 6 12 14 21 1 1 14 4 13 16 22 3 1 15 4 7 11 23 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 7.2331 8.5991 8.2331 4.269 4.269 2.5369 6.001 2.5369 6.8671 6.001 5.135 4.269 3.403 3.403 5.135 2.5369 6.8671 7.7331 5.672 4.8059 3.403 3.403 5.135 1.9264 2.3249 6.001 3.732 2 6.001 2 -1.866 -1.5 -0.134 1 -2 -1 1 2 0.5 -1 -0.5 -1 -0.5 0.5 0.5 1 -0.5 -1 -0.19 -1.31 -1.12 1.12 1.12 1.1077 0.4174 -1.62 -2.31 -0.69 1.62 2.31 3 5 6 3 3 11 12 13 14 15 10 5 6 16 7 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 312 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 9 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 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 00000371C0723980000000000000000000000000000000000000240000000000000000000000001F0010080000083CF18017000802C00600080001101000000000000000000080080000131002008000074000071600970001F070070000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2,2,2-trifluoro-N-[(4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2,2,2-trifluoro-N-[(4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)-3-oxanyl]acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2,2,2-trifluoro-<I>N</I>-[(4<I>R</I>,5<I>S</I>)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2,2,2-trifluoro-N-[(4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2,2,2-tris(fluoranyl)-N-[(4R,5S)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2,2,2-trifluoro-N-[(4R,5S)-2,4,5-trihydroxy-6-methylol-tetrahydropyran-3-yl]acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C8H12F3NO6/c9-8(10,11)7(17)12-3-5(15)4(14)2(1-13)18-6(3)16/h2-6,13-16H,1H2,(H,12,17)/t2?,3?,4-,5-,6?/m1/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ZXNYUXIMAXVSFN-BKAHITNQSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -0.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 275.06167159 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C8H12F3NO6 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 275.18 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(C1C(C(C(C(O1)O)NC(=O)C(F)(F)F)O)O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C(C1[C@H]([C@@H](C(C(O1)O)NC(=O)C(F)(F)F)O)O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 119 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 275.06167159 18 5 2 3 0 0 0 0 1 -1