2-bicyclo[2.2.1]heptanylmethanesulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;cyclohexyl-methyl-phenylsulfanium;(4-cyclohexyloxyphenyl)-diphenylsulfanium;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;2,6-dimethyl-4-(2-methylthiolan-1-ium-1-yl)phenol;2,6-dimethyl-4-(thian-1-ium-1-yl)phenol;2,2,3,3,4,4-hexafluoro-4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)butane-1-sulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;bis((4-hydroxyphenyl)-dimethylsulfanium);5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-2-sulfonate);1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propane-2-sulfonate

C267H325F31O39S20 — CID 159576258

IUPAC2-bicyclo[2.2.1]heptanylmethanesulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;cyclohexyl-methyl-phenylsulfanium;(4-cyclohexyloxyphenyl)-diphenylsulfanium;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;2,6-dimethyl-4-(2-methylthiolan-1-ium-1-yl)phenol;2,6-dimethyl-4-(thian-1-ium-1-yl)phenol;2,2,3,3,4,4-hexafluoro-4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)butane-1-sulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;bis((4-hydroxyphenyl)-dimethylsulfanium);5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-2-sulfonate);1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propane-2-sulfonate
SMILESCC(CC1CC2C=CC1C2)(C(F)(F)F)S(=O)(=O)[O-].CC(CC1CC2CC1C1C3C=CC(C3)C21)(C(F)(F)F)S(=O)(=O)[O-].CC(CC1CC2CC1C1C3CCC(C3)C21)(C(F)(F)F)S(=O)(=O)[O-].CC(CC1CC2CC1C1C3CCC(C3)C21)(C(F)(F)F)S(=O)(=O)[O-].CC(CC1CC2CCC1C2)(C(F)(F)F)S(=O)(=O)[O-].C[S+](C)c1ccc(O)c2ccccc12.C[S+](C)c1ccc(O)cc1.C[S+](C)c1ccc(O)cc1.C[S+](c1ccccc1)C1CCCCC1.Cc1cc([S+]2CCCC2C)cc(C)c1O.Cc1cc([S+]2CCCCC2)cc(C)c1O.O=C(C1CC2CC1C1C3CCC(C3)C21)C(F)(F)S(=O)(=O)[O-].O=C(C[S+]1CCCC1)c1ccccc1.O=S(=O)([O-])C(F)(F)C(F)(F)C1CC2C=CC1C2.O=S(=O)([O-])C(F)(F)C(F)(F)C1CC2CCC1C2.O=S(=O)([O-])CC(F)(F)C(F)(F)C(F)(F)C1CC2CC1C1C3CCC(C3)C21.O=S(=O)([O-])CC1CC2CCC1C2.OCCc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+](c2ccccc2)c2ccc(OC3CCCCC3)cc2)cc1
InChIInChI=1S/C24H25OS.C20H17OS.C18H13S.C16H20F6O3S.2C16H23F3O3S.C16H21F3O3S.C14H18F2O4S.2C13H18OS.C13H19S.C12H12OS.C12H15OS.C11H17F3O3S.C11H15F3O3S.C9H12F4O3S.C9H10F4O3S.C8H14O3S.2C8H10OS/c1-4-10-20(11-5-1)25-21-16-18-24(19-17-21)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23;21-14-13-15-9-11-16(12-10-15)22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;17-14(18,6-26(23,24)25)16(21,22)15(19,20)11-5-9-4-10(11)13-8-2-1-7(3-8)12(9)13;3*1-15(16(17,18)19,23(20,21)22)7-11-5-10-6-12(11)14-9-3-2-8(4-9)13(10)14;15-14(16,21(18,19)20)13(17)10-5-8-4-9(10)12-7-2-1-6(3-7)11(8)12;1-9-7-12(8-10(2)13(9)14)15-6-4-5-11(15)3;1-10-8-12(9-11(2)13(10)14)15-6-4-3-5-7-15;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-14(2)12-8-7-11(13)9-5-3-4-6-10(9)12;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;2*1-10(11(12,13)14,18(15,16)17)6-9-5-7-2-3-8(9)4-7;2*10-8(11,9(12,13)17(14,15)16)7-4-5-1-2-6(7)3-5;9-12(10,11)5-8-4-6-1-2-7(8)3-6;2*1-10(2)8-5-3-7(9)4-6-8/h2-3,6-9,12-20H,1,4-5,10-11H2;1-12,21H,13-14H2;1-13H;7-13H,1-6H2,(H,23,24,25);2*8-14H,2-7H2,1H3,(H,20,21,22);2-3,8-14H,4-7H2,1H3,(H,20,21,22);6-12H,1-5H2,(H,18,19,20);7-8,11H,4-6H2,1-3H3;8-9H,3-7H2,1-2H3;2,4-5,8-9,13H,3,6-7,10-11H2,1H3;3-8H,1-2H3;1-3,6-7H,4-5,8-10H2;7-9H,2-6H2,1H3,(H,15,16,17);2-3,7-9H,4-6H2,1H3,(H,15,16,17);5-7H,1-4H2,(H,14,15,16);1-2,5-7H,3-4H2,(H,14,15,16);6-8H,1-5H2,(H,9,10,11);2*3-6H,1-2H3/q3*+1;;;;;;;;+1;;+1;;;;;;;/p-5
InChIKeyMILFAIPWBJPTSE-UHFFFAOYSA-I
MW5388.78 g/mol
LogP62.27
Rot. Bonds50

About 2-bicyclo[2.2.1]heptanylmethanesulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;cyclohexyl-methyl-phenylsulfanium;(4-cyclohexyloxyphenyl)-diphenylsulfanium;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;2,6-dimethyl-4-(2-methylthiolan-1-ium-1-yl)phenol;2,6-dimethyl-4-(thian-1-ium-1-yl)phenol;2,2,3,3,4,4-hexafluoro-4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)butane-1-sulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;bis((4-hydroxyphenyl)-dimethylsulfanium);5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-2-sulfonate);1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propane-2-sulfonate

2-bicyclo[2.2.1]heptanylmethanesulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;cyclohexyl-methyl-phenylsulfanium;(4-cyclohexyloxyphenyl)-diphenylsulfanium;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;2,6-dimethyl-4-(2-methylthiolan-1-ium-1-yl)phenol;2,6-dimethyl-4-(thian-1-ium-1-yl)phenol;2,2,3,3,4,4-hexafluoro-4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)butane-1-sulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;bis((4-hydroxyphenyl)-dimethylsulfanium);5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-2-sulfonate);1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propane-2-sulfonate (PubChem CID 159576258) has the molecular formula C267H325F31O39S20 and a molecular weight of 5388.78 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanylmethanesulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;cyclohexyl-methyl-phenylsulfanium;(4-cyclohexyloxyphenyl)-diphenylsulfanium;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;2,6-dimethyl-4-(2-methylthiolan-1-ium-1-yl)phenol;2,6-dimethyl-4-(thian-1-ium-1-yl)phenol;2,2,3,3,4,4-hexafluoro-4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)butane-1-sulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;bis((4-hydroxyphenyl)-dimethylsulfanium);5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-2-sulfonate);1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propane-2-sulfonate.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanylmethanesulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;cyclohexyl-methyl-phenylsulfanium;(4-cyclohexyloxyphenyl)-diphenylsulfanium;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;2,6-dimethyl-4-(2-methylthiolan-1-ium-1-yl)phenol;2,6-dimethyl-4-(thian-1-ium-1-yl)phenol;2,2,3,3,4,4-hexafluoro-4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)butane-1-sulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;bis((4-hydroxyphenyl)-dimethylsulfanium);5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-2-sulfonate);1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propane-2-sulfonate
PubChem CID159576258
Molecular FormulaC267H325F31O39S20
Molecular Weight5388.78 g/mol
Exact Mass5383.74
IUPAC Name2-bicyclo[2.2.1]heptanylmethanesulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;cyclohexyl-methyl-phenylsulfanium;(4-cyclohexyloxyphenyl)-diphenylsulfanium;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;2,6-dimethyl-4-(2-methylthiolan-1-ium-1-yl)phenol;2,6-dimethyl-4-(thian-1-ium-1-yl)phenol;2,2,3,3,4,4-hexafluoro-4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)butane-1-sulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;bis((4-hydroxyphenyl)-dimethylsulfanium);5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-2-sulfonate);1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propane-2-sulfonate
SMILESCC(CC1CC2C=CC1C2)(C(F)(F)F)S(=O)(=O)[O-].CC(CC1CC2CC1C1C3C=CC(C3)C21)(C(F)(F)F)S(=O)(=O)[O-].CC(CC1CC2CC1C1C3CCC(C3)C21)(C(F)(F)F)S(=O)(=O)[O-].CC(CC1CC2CC1C1C3CCC(C3)C21)(C(F)(F)F)S(=O)(=O)[O-].CC(CC1CC2CCC1C2)(C(F)(F)F)S(=O)(=O)[O-].C[S+](C)c1ccc(O)c2ccccc12.C[S+](C)c1ccc(O)cc1.C[S+](C)c1ccc(O)cc1.C[S+](c1ccccc1)C1CCCCC1.Cc1cc([S+]2CCCC2C)cc(C)c1O.Cc1cc([S+]2CCCCC2)cc(C)c1O.O=C(C1CC2CC1C1C3CCC(C3)C21)C(F)(F)S(=O)(=O)[O-].O=C(C[S+]1CCCC1)c1ccccc1.O=S(=O)([O-])C(F)(F)C(F)(F)C1CC2C=CC1C2.O=S(=O)([O-])C(F)(F)C(F)(F)C1CC2CCC1C2.O=S(=O)([O-])CC(F)(F)C(F)(F)C(F)(F)C1CC2CC1C1C3CCC(C3)C21.O=S(=O)([O-])CC1CC2CCC1C2.OCCc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+](c2ccccc2)c2ccc(OC3CCCCC3)cc2)cc1
InChIInChI=1S/C24H25OS.C20H17OS.C18H13S.C16H20F6O3S.2C16H23F3O3S.C16H21F3O3S.C14H18F2O4S.2C13H18OS.C13H19S.C12H12OS.C12H15OS.C11H17F3O3S.C11H15F3O3S.C9H12F4O3S.C9H10F4O3S.C8H14O3S.2C8H10OS/c1-4-10-20(11-5-1)25-21-16-18-24(19-17-21)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23;21-14-13-15-9-11-16(12-10-15)22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;17-14(18,6-26(23,24)25)16(21,22)15(19,20)11-5-9-4-10(11)13-8-2-1-7(3-8)12(9)13;3*1-15(16(17,18)19,23(20,21)22)7-11-5-10-6-12(11)14-9-3-2-8(4-9)13(10)14;15-14(16,21(18,19)20)13(17)10-5-8-4-9(10)12-7-2-1-6(3-7)11(8)12;1-9-7-12(8-10(2)13(9)14)15-6-4-5-11(15)3;1-10-8-12(9-11(2)13(10)14)15-6-4-3-5-7-15;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-14(2)12-8-7-11(13)9-5-3-4-6-10(9)12;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;2*1-10(11(12,13)14,18(15,16)17)6-9-5-7-2-3-8(9)4-7;2*10-8(11,9(12,13)17(14,15)16)7-4-5-1-2-6(7)3-5;9-12(10,11)5-8-4-6-1-2-7(8)3-6;2*1-10(2)8-5-3-7(9)4-6-8/h2-3,6-9,12-20H,1,4-5,10-11H2;1-12,21H,13-14H2;1-13H;7-13H,1-6H2,(H,23,24,25);2*8-14H,2-7H2,1H3,(H,20,21,22);2-3,8-14H,4-7H2,1H3,(H,20,21,22);6-12H,1-5H2,(H,18,19,20);7-8,11H,4-6H2,1-3H3;8-9H,3-7H2,1-2H3;2,4-5,8-9,13H,3,6-7,10-11H2,1H3;3-8H,1-2H3;1-3,6-7H,4-5,8-10H2;7-9H,2-6H2,1H3,(H,15,16,17);2-3,7-9H,4-6H2,1H3,(H,15,16,17);5-7H,1-4H2,(H,14,15,16);1-2,5-7H,3-4H2,(H,14,15,16);6-8H,1-5H2,(H,9,10,11);2*3-6H,1-2H3/q3*+1;;;;;;;;+1;;+1;;;;;;;/p-5
InChIKeyMILFAIPWBJPTSE-UHFFFAOYSA-I
XLogP62.27
TPSA736.75 Ų
H-Bond Donors6
H-Bond Acceptors39
Rotatable Bonds50
Heavy Atoms357
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005388.78
LogP ≤ 562.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1039

Analyze 2-bicyclo[2.2.1]heptanylmethanesulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;cyclohexyl-methyl-phenylsulfanium;(4-cyclohexyloxyphenyl)-diphenylsulfanium;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;2,6-dimethyl-4-(2-methylthiolan-1-ium-1-yl)phenol;2,6-dimethyl-4-(thian-1-ium-1-yl)phenol;2,2,3,3,4,4-hexafluoro-4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)butane-1-sulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;bis((4-hydroxyphenyl)-dimethylsulfanium);5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-2-sulfonate);1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propane-2-sulfonate with MolForge

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What is the IUPAC name of 2-bicyclo[2.2.1]heptanylmethanesulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;cyclohexyl-methyl-phenylsulfanium;(4-cyclohexyloxyphenyl)-diphenylsulfanium;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;2,6-dimethyl-4-(2-methylthiolan-1-ium-1-yl)phenol;2,6-dimethyl-4-(thian-1-ium-1-yl)phenol;2,2,3,3,4,4-hexafluoro-4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)butane-1-sulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;bis((4-hydroxyphenyl)-dimethylsulfanium);5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-2-sulfonate);1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propane-2-sulfonate?
The IUPAC name of 2-bicyclo[2.2.1]heptanylmethanesulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;cyclohexyl-methyl-phenylsulfanium;(4-cyclohexyloxyphenyl)-diphenylsulfanium;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;2,6-dimethyl-4-(2-methylthiolan-1-ium-1-yl)phenol;2,6-dimethyl-4-(thian-1-ium-1-yl)phenol;2,2,3,3,4,4-hexafluoro-4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)butane-1-sulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;bis((4-hydroxyphenyl)-dimethylsulfanium);5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-2-sulfonate);1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propane-2-sulfonate (CID 159576258) is 2-bicyclo[2.2.1]heptanylmethanesulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;cyclohexyl-methyl-phenylsulfanium;(4-cyclohexyloxyphenyl)-diphenylsulfanium;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;2,6-dimethyl-4-(2-methylthiolan-1-ium-1-yl)phenol;2,6-dimethyl-4-(thian-1-ium-1-yl)phenol;2,2,3,3,4,4-hexafluoro-4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)butane-1-sulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;bis((4-hydroxyphenyl)-dimethylsulfanium);5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-2-sulfonate);1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propane-2-sulfonate.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanylmethanesulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;cyclohexyl-methyl-phenylsulfanium;(4-cyclohexyloxyphenyl)-diphenylsulfanium;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;2,6-dimethyl-4-(2-methylthiolan-1-ium-1-yl)phenol;2,6-dimethyl-4-(thian-1-ium-1-yl)phenol;2,2,3,3,4,4-hexafluoro-4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)butane-1-sulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;bis((4-hydroxyphenyl)-dimethylsulfanium);5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-2-sulfonate);1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propane-2-sulfonate?
The canonical SMILES for 2-bicyclo[2.2.1]heptanylmethanesulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;cyclohexyl-methyl-phenylsulfanium;(4-cyclohexyloxyphenyl)-diphenylsulfanium;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;2,6-dimethyl-4-(2-methylthiolan-1-ium-1-yl)phenol;2,6-dimethyl-4-(thian-1-ium-1-yl)phenol;2,2,3,3,4,4-hexafluoro-4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)butane-1-sulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;bis((4-hydroxyphenyl)-dimethylsulfanium);5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-2-sulfonate);1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propane-2-sulfonate is CC(CC1CC2C=CC1C2)(C(F)(F)F)S(=O)(=O)[O-].CC(CC1CC2CC1C1C3C=CC(C3)C21)(C(F)(F)F)S(=O)(=O)[O-].CC(CC1CC2CC1C1C3CCC(C3)C21)(C(F)(F)F)S(=O)(=O)[O-].CC(CC1CC2CC1C1C3CCC(C3)C21)(C(F)(F)F)S(=O)(=O)[O-].CC(CC1CC2CCC1C2)(C(F)(F)F)S(=O)(=O)[O-].C[S+](C)c1ccc(O)c2ccccc12.C[S+](C)c1ccc(O)cc1.C[S+](C)c1ccc(O)cc1.C[S+](c1ccccc1)C1CCCCC1.Cc1cc([S+]2CCCC2C)cc(C)c1O.Cc1cc([S+]2CCCCC2)cc(C)c1O.O=C(C1CC2CC1C1C3CCC(C3)C21)C(F)(F)S(=O)(=O)[O-].O=C(C[S+]1CCCC1)c1ccccc1.O=S(=O)([O-])C(F)(F)C(F)(F)C1CC2C=CC1C2.O=S(=O)([O-])C(F)(F)C(F)(F)C1CC2CCC1C2.O=S(=O)([O-])CC(F)(F)C(F)(F)C(F)(F)C1CC2CC1C1C3CCC(C3)C21.O=S(=O)([O-])CC1CC2CCC1C2.OCCc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+](c2ccccc2)c2ccc(OC3CCCCC3)cc2)cc1.
What is the InChIKey of 2-bicyclo[2.2.1]heptanylmethanesulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;cyclohexyl-methyl-phenylsulfanium;(4-cyclohexyloxyphenyl)-diphenylsulfanium;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;2,6-dimethyl-4-(2-methylthiolan-1-ium-1-yl)phenol;2,6-dimethyl-4-(thian-1-ium-1-yl)phenol;2,2,3,3,4,4-hexafluoro-4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)butane-1-sulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;bis((4-hydroxyphenyl)-dimethylsulfanium);5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-2-sulfonate);1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propane-2-sulfonate?
The InChIKey is MILFAIPWBJPTSE-UHFFFAOYSA-I. The full InChI is InChI=1S/C24H25OS.C20H17OS.C18H13S.C16H20F6O3S.2C16H23F3O3S.C16H21F3O3S.C14H18F2O4S.2C13H18OS.C13H19S.C12H12OS.C12H15OS.C11H17F3O3S.C11H15F3O3S.C9H12F4O3S.C9H10F4O3S.C8H14O3S.2C8H10OS/c1-4-10-20(11-5-1)25-21-16-18-24(19-17-21)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23;21-14-13-15-9-11-16(12-10-15)22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;17-14(18,6-26(23,24)25)16(21,22)15(19,20)11-5-9-4-10(11)13-8-2-1-7(3-8)12(9)13;3*1-15(16(17,18)19,23(20,21)22)7-11-5-10-6-12(11)14-9-3-2-8(4-9)13(10)14;15-14(16,21(18,19)20)13(17)10-5-8-4-9(10)12-7-2-1-6(3-7)11(8)12;1-9-7-12(8-10(2)13(9)14)15-6-4-5-11(15)3;1-10-8-12(9-11(2)13(10)14)15-6-4-3-5-7-15;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-14(2)12-8-7-11(13)9-5-3-4-6-10(9)12;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;2*1-10(11(12,13)14,18(15,16)17)6-9-5-7-2-3-8(9)4-7;2*10-8(11,9(12,13)17(14,15)16)7-4-5-1-2-6(7)3-5;9-12(10,11)5-8-4-6-1-2-7(8)3-6;2*1-10(2)8-5-3-7(9)4-6-8/h2-3,6-9,12-20H,1,4-5,10-11H2;1-12,21H,13-14H2;1-13H;7-13H,1-6H2,(H,23,24,25);2*8-14H,2-7H2,1H3,(H,20,21,22);2-3,8-14H,4-7H2,1H3,(H,20,21,22);6-12H,1-5H2,(H,18,19,20);7-8,11H,4-6H2,1-3H3;8-9H,3-7H2,1-2H3;2,4-5,8-9,13H,3,6-7,10-11H2,1H3;3-8H,1-2H3;1-3,6-7H,4-5,8-10H2;7-9H,2-6H2,1H3,(H,15,16,17);2-3,7-9H,4-6H2,1H3,(H,15,16,17);5-7H,1-4H2,(H,14,15,16);1-2,5-7H,3-4H2,(H,14,15,16);6-8H,1-5H2,(H,9,10,11);2*3-6H,1-2H3/q3*+1;;;;;;;;+1;;+1;;;;;;;/p-5.
What are the key properties of 2-bicyclo[2.2.1]heptanylmethanesulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;cyclohexyl-methyl-phenylsulfanium;(4-cyclohexyloxyphenyl)-diphenylsulfanium;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;2,6-dimethyl-4-(2-methylthiolan-1-ium-1-yl)phenol;2,6-dimethyl-4-(thian-1-ium-1-yl)phenol;2,2,3,3,4,4-hexafluoro-4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)butane-1-sulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;bis((4-hydroxyphenyl)-dimethylsulfanium);5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-2-sulfonate);1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propane-2-sulfonate?
2-bicyclo[2.2.1]heptanylmethanesulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;cyclohexyl-methyl-phenylsulfanium;(4-cyclohexyloxyphenyl)-diphenylsulfanium;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;2,6-dimethyl-4-(2-methylthiolan-1-ium-1-yl)phenol;2,6-dimethyl-4-(thian-1-ium-1-yl)phenol;2,2,3,3,4,4-hexafluoro-4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)butane-1-sulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;bis((4-hydroxyphenyl)-dimethylsulfanium);5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-2-sulfonate);1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propane-2-sulfonate has a molecular weight of 5388.78 g/mol, XLogP of 62.27, 50 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanylmethanesulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;cyclohexyl-methyl-phenylsulfanium;(4-cyclohexyloxyphenyl)-diphenylsulfanium;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;2,6-dimethyl-4-(2-methylthiolan-1-ium-1-yl)phenol;2,6-dimethyl-4-(thian-1-ium-1-yl)phenol;2,2,3,3,4,4-hexafluoro-4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)butane-1-sulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;bis((4-hydroxyphenyl)-dimethylsulfanium);5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-2-sulfonate);1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propane-2-sulfonate is sourced from PubChem (CID 159576258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).