About (4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 3,3,3-trifluoro-2-oxidoperoxysulfanyl-2-(trifluoromethyl)propanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 3,3,3-trifluoro-2-oxidoperoxysulfanyl-2-(trifluoromethyl)propanoate;(2-oxooxolan-3-yl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate;(2-oxooxolan-3-yl) 3,3,3-trifluoro-2-oxidoperoxysulfanyl-2-(trifluoromethyl)propanoate
(4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 3,3,3-trifluoro-2-oxidoperoxysulfanyl-2-(trifluoromethyl)propanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 3,3,3-trifluoro-2-oxidoperoxysulfanyl-2-(trifluoromethyl)propanoate;(2-oxooxolan-3-yl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate;(2-oxooxolan-3-yl) 3,3,3-trifluoro-2-oxidoperoxysulfanyl-2-(trifluoromethyl)propanoate (PubChem CID 165065310) has the molecular formula C100H92F38O70S10-10
and a molecular weight of 3456.36 g/mol. Its IUPAC name is (4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 3,3,3-trifluoro-2-oxidoperoxysulfanyl-2-(trifluoromethyl)propanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 3,3,3-trifluoro-2-oxidoperoxysulfanyl-2-(trifluoromethyl)propanoate;(2-oxooxolan-3-yl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate;(2-oxooxolan-3-yl) 3,3,3-trifluoro-2-oxidoperoxysulfanyl-2-(trifluoromethyl)propanoate.
Frequently Asked Questions
What is the IUPAC name of (4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 3,3,3-trifluoro-2-oxidoperoxysulfanyl-2-(trifluoromethyl)propanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 3,3,3-trifluoro-2-oxidoperoxysulfanyl-2-(trifluoromethyl)propanoate;(2-oxooxolan-3-yl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate;(2-oxooxolan-3-yl) 3,3,3-trifluoro-2-oxidoperoxysulfanyl-2-(trifluoromethyl)propanoate?
The IUPAC name of (4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 3,3,3-trifluoro-2-oxidoperoxysulfanyl-2-(trifluoromethyl)propanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 3,3,3-trifluoro-2-oxidoperoxysulfanyl-2-(trifluoromethyl)propanoate;(2-oxooxolan-3-yl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate;(2-oxooxolan-3-yl) 3,3,3-trifluoro-2-oxidoperoxysulfanyl-2-(trifluoromethyl)propanoate (CID 165065310) is (4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 3,3,3-trifluoro-2-oxidoperoxysulfanyl-2-(trifluoromethyl)propanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 3,3,3-trifluoro-2-oxidoperoxysulfanyl-2-(trifluoromethyl)propanoate;(2-oxooxolan-3-yl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate;(2-oxooxolan-3-yl) 3,3,3-trifluoro-2-oxidoperoxysulfanyl-2-(trifluoromethyl)propanoate.
What is the SMILES notation for (4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 3,3,3-trifluoro-2-oxidoperoxysulfanyl-2-(trifluoromethyl)propanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 3,3,3-trifluoro-2-oxidoperoxysulfanyl-2-(trifluoromethyl)propanoate;(2-oxooxolan-3-yl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate;(2-oxooxolan-3-yl) 3,3,3-trifluoro-2-oxidoperoxysulfanyl-2-(trifluoromethyl)propanoate?
The canonical SMILES for (4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 3,3,3-trifluoro-2-oxidoperoxysulfanyl-2-(trifluoromethyl)propanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 3,3,3-trifluoro-2-oxidoperoxysulfanyl-2-(trifluoromethyl)propanoate;(2-oxooxolan-3-yl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate;(2-oxooxolan-3-yl) 3,3,3-trifluoro-2-oxidoperoxysulfanyl-2-(trifluoromethyl)propanoate is CC1(OC(=O)C(F)(F)SOO[O-])CCC2CC1OC2=O.CC12CC(CCC1(C)OC(=O)C(F)(F)SOO[O-])C(=O)O2.CC12CC(CCC1OC(=O)C(F)(F)SOO[O-])C(=O)O2.CC1CC2CC(OC2=O)C1OC(=O)C(F)(F)SOO[O-].O=C1OC2C3CC(CC13)C2OC(=O)C(F)(SOO[O-])C(F)(F)F.O=C1OC2C3CC(CC13)C2OC(=O)C(SOO[O-])(C(F)(F)F)C(F)(F)F.O=C1OC2CC1CCC2OC(=O)C(F)(SOO[O-])C(F)(F)F.O=C1OC2CC1CCC2OC(=O)C(SOO[O-])(C(F)(F)F)C(F)(F)F.O=C1OCCC1OC(=O)C(F)(SOO[O-])C(F)(F)F.O=C1OCCC1OC(=O)C(SOO[O-])(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 3,3,3-trifluoro-2-oxidoperoxysulfanyl-2-(trifluoromethyl)propanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 3,3,3-trifluoro-2-oxidoperoxysulfanyl-2-(trifluoromethyl)propanoate;(2-oxooxolan-3-yl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate;(2-oxooxolan-3-yl) 3,3,3-trifluoro-2-oxidoperoxysulfanyl-2-(trifluoromethyl)propanoate?
The InChIKey is RWAAYVYHNWZGMT-UHFFFAOYSA-D. The full InChI is InChI=1S/C12H10F6O7S.C11H10F6O7S.C11H10F4O7S.C11H14F2O7S.C10H10F4O7S.3C10H12F2O7S.C8H6F6O7S.C7H6F4O7S/c13-11(14,15)10(12(16,17)18,26-25-24-21)9(20)23-6-3-1-4-5(2-3)8(19)22-7(4)6;12-10(13,14)9(11(15,16)17,25-24-23-20)8(19)22-5-2-1-4-3-6(5)21-7(4)18;12-10(11(13,14)15,23-22-21-18)9(17)20-6-3-1-4-5(2-3)8(16)19-7(4)6;1-9(18-8(15)11(12,13)21-20-19-16)4-3-6-5-10(9,2)17-7(6)14;11-9(10(12,13)14,22-21-20-17)8(16)19-5-2-1-4-3-6(5)18-7(4)15;1-4-2-5-3-6(16-8(5)13)7(4)17-9(14)10(11,12)20-19-18-15;1-9(3-2-5-4-6(9)16-7(5)13)17-8(14)10(11,12)20-19-18-15;1-9-4-5(7(13)17-9)2-3-6(9)16-8(14)10(11,12)20-19-18-15;9-7(10,11)6(8(12,13)14,22-21-20-17)5(16)19-3-1-2-18-4(3)15;8-6(7(9,10)11,19-18-17-14)5(13)16-3-1-2-15-4(3)12/h3-7,21H,1-2H2;4-6,20H,1-3H2;3-7,18H,1-2H2;6,16H,3-5H2,1-2H3;4-6,17H,1-3H2;4-7,15H,2-3H2,1H3;2*5-6,15H,2-4H2,1H3;3,17H,1-2H2;3,14H,1-2H2/p-10.
What are the key properties of (4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 3,3,3-trifluoro-2-oxidoperoxysulfanyl-2-(trifluoromethyl)propanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 3,3,3-trifluoro-2-oxidoperoxysulfanyl-2-(trifluoromethyl)propanoate;(2-oxooxolan-3-yl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate;(2-oxooxolan-3-yl) 3,3,3-trifluoro-2-oxidoperoxysulfanyl-2-(trifluoromethyl)propanoate?
(4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 3,3,3-trifluoro-2-oxidoperoxysulfanyl-2-(trifluoromethyl)propanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 3,3,3-trifluoro-2-oxidoperoxysulfanyl-2-(trifluoromethyl)propanoate;(2-oxooxolan-3-yl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate;(2-oxooxolan-3-yl) 3,3,3-trifluoro-2-oxidoperoxysulfanyl-2-(trifluoromethyl)propanoate has a molecular weight of 3456.36 g/mol, XLogP of 6.56, 50 rotatable bonds, 0 hydrogen bond donors, and 80 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 3,3,3-trifluoro-2-oxidoperoxysulfanyl-2-(trifluoromethyl)propanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 3,3,3-trifluoro-2-oxidoperoxysulfanyl-2-(trifluoromethyl)propanoate;(2-oxooxolan-3-yl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate;(2-oxooxolan-3-yl) 3,3,3-trifluoro-2-oxidoperoxysulfanyl-2-(trifluoromethyl)propanoate is sourced from PubChem (CID 165065310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).