bis[2,2-difluoro-7-[4-(2-prop-2-enoyloxyethoxy)benzoyl]oxy-1,3-benzodioxol-4-yl] benzene-1,4-dicarboxylate;7-O-[2,2-difluoro-7-[2-oxo-2-[4-(4-prop-2-enoyloxybutoxy)phenyl]ethyl]-1,3-benzodioxol-4-yl] 2-O-[2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxol-4-yl] 9-methyl-9H-fluorene-2,7-dicarboxylate;[7-[2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxole-4-carbonyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] 2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxole-4-carboxylate;[7-[(E)-2-[2,2-difluoro-7-[4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoyl]oxy-1,3-benzodioxol-4-yl]-1,2-difluoroethenyl]-2,2-difluoro-1,3-benzodioxol-4-yl] 4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoate;1-O-[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxol-4-yl] 4-O-[7-[4-[[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxol-4-yl]oxycarbonyl]benzoyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] benzene-1,4-dicarboxylate;(4-prop-2-enoyloxyphenyl) 4-[2,2-difluoro-7-[4-(4-prop-2-enoyloxyphenoxy)carbonylphenyl]-1,3-benzodioxol-4-yl]benzoate

C298H206F28O99 — CID 159359597

IUPACbis[2,2-difluoro-7-[4-(2-prop-2-enoyloxyethoxy)benzoyl]oxy-1,3-benzodioxol-4-yl] benzene-1,4-dicarboxylate;7-O-[2,2-difluoro-7-[2-oxo-2-[4-(4-prop-2-enoyloxybutoxy)phenyl]ethyl]-1,3-benzodioxol-4-yl] 2-O-[2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxol-4-yl] 9-methyl-9H-fluorene-2,7-dicarboxylate;[7-[2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxole-4-carbonyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] 2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxole-4-carboxylate;[7-[(E)-2-[2,2-difluoro-7-[4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoyl]oxy-1,3-benzodioxol-4-yl]-1,2-difluoroethenyl]-2,2-difluoro-1,3-benzodioxol-4-yl] 4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoate;1-O-[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxol-4-yl] 4-O-[7-[4-[[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxol-4-yl]oxycarbonyl]benzoyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] benzene-1,4-dicarboxylate;(4-prop-2-enoyloxyphenyl) 4-[2,2-difluoro-7-[4-(4-prop-2-enoyloxyphenoxy)carbonylphenyl]-1,3-benzodioxol-4-yl]benzoate
SMILESC=CC(=O)OCCCCOc1ccc(-c2ccc(C(=O)Oc3ccc(/C(F)=C(\F)c4ccc(OC(=O)c5ccc(-c6ccc(OCCCCOC(=O)C=C)cc6)cc5)c5c4OC(F)(F)O5)c4c3OC(F)(F)O4)cc2)cc1.C=CC(=O)OCCCCOc1ccc(C(=O)Cc2ccc(OC(=O)c3ccc4c(c3)C(C)c3cc(C(=O)Oc5ccc(OC(=O)c6ccc(OCCCCOC(=O)C=C)cc6)c6c5OC(F)(F)O6)ccc3-4)c3c2OC(F)(F)O3)cc1.C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(OC(=O)c4ccc(OC(=O)c5ccc(OCCCCOC(=O)C=C)cc5)c5c4OC(F)(F)O5)c4c3OC(F)(F)O4)c3c2OC(F)(F)O3)cc1.C=CC(=O)OCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(C(=O)Oc4ccc(OC(=O)c5ccc(OCCOC(=O)C=C)cc5)c5c4OC(F)(F)O5)cc3)c3c2OC(F)(F)O3)cc1.C=CC(=O)OCCOc1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(OC(=O)c4ccc(C(=O)Oc5ccc(OCCOC(=O)C=C)c6c5OC(F)(F)O6)cc4)c4c3OC(F)(F)O4)cc2)c2c1OC(F)(F)O2.C=CC(=O)Oc1ccc(OC(=O)c2ccc(-c3ccc(-c4ccc(C(=O)Oc5ccc(OC(=O)C=C)cc5)cc4)c4c3OC(F)(F)O4)cc2)cc1
InChIInChI=1S/C59H46F4O17.C56H42F6O14.C51H36F6O20.C47H28F6O20.C46H30F4O18.C39H24F2O10/c1-4-49(65)72-28-8-6-26-70-39-17-10-34(11-18-39)45(64)32-36-16-23-46(52-51(36)77-58(60,61)78-52)75-56(68)37-14-21-41-42-22-15-38(31-44(42)33(3)43(41)30-37)57(69)76-48-25-24-47(53-54(48)80-59(62,63)79-53)74-55(67)35-12-19-40(20-13-35)71-27-7-9-29-73-50(66)5-2;1-3-45(63)69-31-7-5-29-67-39-21-17-35(18-22-39)33-9-13-37(14-10-33)53(65)71-43-27-25-41(49-51(43)75-55(59,60)73-49)47(57)48(58)42-26-28-44(52-50(42)74-56(61,62)76-52)72-54(66)38-15-11-34(12-16-38)36-19-23-40(24-20-36)68-30-6-8-32-70-46(64)4-2;1-3-37(58)66-25-7-5-23-64-29-13-9-27(10-14-29)45(60)68-33-19-17-31(39-41(33)74-49(52,53)72-39)47(62)70-35-21-22-36(44-43(35)76-51(56,57)77-44)71-48(63)32-18-20-34(42-40(32)73-50(54,55)75-42)69-46(61)28-11-15-30(16-12-28)65-24-6-8-26-67-38(59)4-2;1-3-33(54)62-21-19-60-27-13-15-29(37-35(27)68-45(48,49)70-37)64-41(56)23-5-9-25(10-6-23)43(58)66-31-17-18-32(40-39(31)72-47(52,53)73-40)67-44(59)26-11-7-24(8-12-26)42(57)65-30-16-14-28(61-20-22-63-34(55)4-2)36-38(30)71-46(50,51)69-36;1-3-35(51)59-23-21-57-29-13-9-27(10-14-29)43(55)63-33-19-17-31(37-39(33)67-45(47,48)65-37)61-41(53)25-5-7-26(8-6-25)42(54)62-32-18-20-34(40-38(32)66-46(49,50)68-40)64-44(56)28-11-15-30(16-12-28)58-22-24-60-36(52)4-2;1-3-33(42)46-27-13-17-29(18-14-27)48-37(44)25-9-5-23(6-10-25)31-21-22-32(36-35(31)50-39(40,41)51-36)24-7-11-26(12-8-24)38(45)49-30-19-15-28(16-20-30)47-34(43)4-2/h4-5,10-25,30-31,33H,1-2,6-9,26-29,32H2,3H3;3-4,9-28H,1-2,5-8,29-32H2;3-4,9-22H,1-2,5-8,23-26H2;3-18H,1-2,19-22H2;3-20H,1-2,21-24H2;3-22H,1-2H2/b;48-47+;;;;
InChIKeyLIJCIBKVQFMFOB-CRHRZJJTSA-N
MW5902.77 g/mol
LogP56.40
Rot. Bonds113

About bis[2,2-difluoro-7-[4-(2-prop-2-enoyloxyethoxy)benzoyl]oxy-1,3-benzodioxol-4-yl] benzene-1,4-dicarboxylate;7-O-[2,2-difluoro-7-[2-oxo-2-[4-(4-prop-2-enoyloxybutoxy)phenyl]ethyl]-1,3-benzodioxol-4-yl] 2-O-[2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxol-4-yl] 9-methyl-9H-fluorene-2,7-dicarboxylate;[7-[2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxole-4-carbonyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] 2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxole-4-carboxylate;[7-[(E)-2-[2,2-difluoro-7-[4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoyl]oxy-1,3-benzodioxol-4-yl]-1,2-difluoroethenyl]-2,2-difluoro-1,3-benzodioxol-4-yl] 4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoate;1-O-[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxol-4-yl] 4-O-[7-[4-[[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxol-4-yl]oxycarbonyl]benzoyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] benzene-1,4-dicarboxylate;(4-prop-2-enoyloxyphenyl) 4-[2,2-difluoro-7-[4-(4-prop-2-enoyloxyphenoxy)carbonylphenyl]-1,3-benzodioxol-4-yl]benzoate

bis[2,2-difluoro-7-[4-(2-prop-2-enoyloxyethoxy)benzoyl]oxy-1,3-benzodioxol-4-yl] benzene-1,4-dicarboxylate;7-O-[2,2-difluoro-7-[2-oxo-2-[4-(4-prop-2-enoyloxybutoxy)phenyl]ethyl]-1,3-benzodioxol-4-yl] 2-O-[2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxol-4-yl] 9-methyl-9H-fluorene-2,7-dicarboxylate;[7-[2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxole-4-carbonyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] 2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxole-4-carboxylate;[7-[(E)-2-[2,2-difluoro-7-[4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoyl]oxy-1,3-benzodioxol-4-yl]-1,2-difluoroethenyl]-2,2-difluoro-1,3-benzodioxol-4-yl] 4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoate;1-O-[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxol-4-yl] 4-O-[7-[4-[[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxol-4-yl]oxycarbonyl]benzoyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] benzene-1,4-dicarboxylate;(4-prop-2-enoyloxyphenyl) 4-[2,2-difluoro-7-[4-(4-prop-2-enoyloxyphenoxy)carbonylphenyl]-1,3-benzodioxol-4-yl]benzoate (PubChem CID 159359597) has the molecular formula C298H206F28O99 and a molecular weight of 5902.77 g/mol. Its IUPAC name is bis[2,2-difluoro-7-[4-(2-prop-2-enoyloxyethoxy)benzoyl]oxy-1,3-benzodioxol-4-yl] benzene-1,4-dicarboxylate;7-O-[2,2-difluoro-7-[2-oxo-2-[4-(4-prop-2-enoyloxybutoxy)phenyl]ethyl]-1,3-benzodioxol-4-yl] 2-O-[2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxol-4-yl] 9-methyl-9H-fluorene-2,7-dicarboxylate;[7-[2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxole-4-carbonyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] 2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxole-4-carboxylate;[7-[(E)-2-[2,2-difluoro-7-[4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoyl]oxy-1,3-benzodioxol-4-yl]-1,2-difluoroethenyl]-2,2-difluoro-1,3-benzodioxol-4-yl] 4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoate;1-O-[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxol-4-yl] 4-O-[7-[4-[[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxol-4-yl]oxycarbonyl]benzoyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] benzene-1,4-dicarboxylate;(4-prop-2-enoyloxyphenyl) 4-[2,2-difluoro-7-[4-(4-prop-2-enoyloxyphenoxy)carbonylphenyl]-1,3-benzodioxol-4-yl]benzoate.

Molecular Properties

Compound Namebis[2,2-difluoro-7-[4-(2-prop-2-enoyloxyethoxy)benzoyl]oxy-1,3-benzodioxol-4-yl] benzene-1,4-dicarboxylate;7-O-[2,2-difluoro-7-[2-oxo-2-[4-(4-prop-2-enoyloxybutoxy)phenyl]ethyl]-1,3-benzodioxol-4-yl] 2-O-[2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxol-4-yl] 9-methyl-9H-fluorene-2,7-dicarboxylate;[7-[2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxole-4-carbonyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] 2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxole-4-carboxylate;[7-[(E)-2-[2,2-difluoro-7-[4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoyl]oxy-1,3-benzodioxol-4-yl]-1,2-difluoroethenyl]-2,2-difluoro-1,3-benzodioxol-4-yl] 4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoate;1-O-[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxol-4-yl] 4-O-[7-[4-[[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxol-4-yl]oxycarbonyl]benzoyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] benzene-1,4-dicarboxylate;(4-prop-2-enoyloxyphenyl) 4-[2,2-difluoro-7-[4-(4-prop-2-enoyloxyphenoxy)carbonylphenyl]-1,3-benzodioxol-4-yl]benzoate
PubChem CID159359597
Molecular FormulaC298H206F28O99
Molecular Weight5902.77 g/mol
Exact Mass5899.06
IUPAC Namebis[2,2-difluoro-7-[4-(2-prop-2-enoyloxyethoxy)benzoyl]oxy-1,3-benzodioxol-4-yl] benzene-1,4-dicarboxylate;7-O-[2,2-difluoro-7-[2-oxo-2-[4-(4-prop-2-enoyloxybutoxy)phenyl]ethyl]-1,3-benzodioxol-4-yl] 2-O-[2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxol-4-yl] 9-methyl-9H-fluorene-2,7-dicarboxylate;[7-[2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxole-4-carbonyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] 2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxole-4-carboxylate;[7-[(E)-2-[2,2-difluoro-7-[4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoyl]oxy-1,3-benzodioxol-4-yl]-1,2-difluoroethenyl]-2,2-difluoro-1,3-benzodioxol-4-yl] 4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoate;1-O-[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxol-4-yl] 4-O-[7-[4-[[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxol-4-yl]oxycarbonyl]benzoyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] benzene-1,4-dicarboxylate;(4-prop-2-enoyloxyphenyl) 4-[2,2-difluoro-7-[4-(4-prop-2-enoyloxyphenoxy)carbonylphenyl]-1,3-benzodioxol-4-yl]benzoate
SMILESC=CC(=O)OCCCCOc1ccc(-c2ccc(C(=O)Oc3ccc(/C(F)=C(\F)c4ccc(OC(=O)c5ccc(-c6ccc(OCCCCOC(=O)C=C)cc6)cc5)c5c4OC(F)(F)O5)c4c3OC(F)(F)O4)cc2)cc1.C=CC(=O)OCCCCOc1ccc(C(=O)Cc2ccc(OC(=O)c3ccc4c(c3)C(C)c3cc(C(=O)Oc5ccc(OC(=O)c6ccc(OCCCCOC(=O)C=C)cc6)c6c5OC(F)(F)O6)ccc3-4)c3c2OC(F)(F)O3)cc1.C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(OC(=O)c4ccc(OC(=O)c5ccc(OCCCCOC(=O)C=C)cc5)c5c4OC(F)(F)O5)c4c3OC(F)(F)O4)c3c2OC(F)(F)O3)cc1.C=CC(=O)OCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(C(=O)Oc4ccc(OC(=O)c5ccc(OCCOC(=O)C=C)cc5)c5c4OC(F)(F)O5)cc3)c3c2OC(F)(F)O3)cc1.C=CC(=O)OCCOc1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(OC(=O)c4ccc(C(=O)Oc5ccc(OCCOC(=O)C=C)c6c5OC(F)(F)O6)cc4)c4c3OC(F)(F)O4)cc2)c2c1OC(F)(F)O2.C=CC(=O)Oc1ccc(OC(=O)c2ccc(-c3ccc(-c4ccc(C(=O)Oc5ccc(OC(=O)C=C)cc5)cc4)c4c3OC(F)(F)O4)cc2)cc1
InChIInChI=1S/C59H46F4O17.C56H42F6O14.C51H36F6O20.C47H28F6O20.C46H30F4O18.C39H24F2O10/c1-4-49(65)72-28-8-6-26-70-39-17-10-34(11-18-39)45(64)32-36-16-23-46(52-51(36)77-58(60,61)78-52)75-56(68)37-14-21-41-42-22-15-38(31-44(42)33(3)43(41)30-37)57(69)76-48-25-24-47(53-54(48)80-59(62,63)79-53)74-55(67)35-12-19-40(20-13-35)71-27-7-9-29-73-50(66)5-2;1-3-45(63)69-31-7-5-29-67-39-21-17-35(18-22-39)33-9-13-37(14-10-33)53(65)71-43-27-25-41(49-51(43)75-55(59,60)73-49)47(57)48(58)42-26-28-44(52-50(42)74-56(61,62)76-52)72-54(66)38-15-11-34(12-16-38)36-19-23-40(24-20-36)68-30-6-8-32-70-46(64)4-2;1-3-37(58)66-25-7-5-23-64-29-13-9-27(10-14-29)45(60)68-33-19-17-31(39-41(33)74-49(52,53)72-39)47(62)70-35-21-22-36(44-43(35)76-51(56,57)77-44)71-48(63)32-18-20-34(42-40(32)73-50(54,55)75-42)69-46(61)28-11-15-30(16-12-28)65-24-6-8-26-67-38(59)4-2;1-3-33(54)62-21-19-60-27-13-15-29(37-35(27)68-45(48,49)70-37)64-41(56)23-5-9-25(10-6-23)43(58)66-31-17-18-32(40-39(31)72-47(52,53)73-40)67-44(59)26-11-7-24(8-12-26)42(57)65-30-16-14-28(61-20-22-63-34(55)4-2)36-38(30)71-46(50,51)69-36;1-3-35(51)59-23-21-57-29-13-9-27(10-14-29)43(55)63-33-19-17-31(37-39(33)67-45(47,48)65-37)61-41(53)25-5-7-26(8-6-25)42(54)62-32-18-20-34(40-38(32)66-46(49,50)68-40)64-44(56)28-11-15-30(16-12-28)58-22-24-60-36(52)4-2;1-3-33(42)46-27-13-17-29(18-14-27)48-37(44)25-9-5-23(6-10-25)31-21-22-32(36-35(31)50-39(40,41)51-36)24-7-11-26(12-8-24)38(45)49-30-19-15-28(16-20-30)47-34(43)4-2/h4-5,10-25,30-31,33H,1-2,6-9,26-29,32H2,3H3;3-4,9-28H,1-2,5-8,29-32H2;3-4,9-22H,1-2,5-8,23-26H2;3-18H,1-2,19-22H2;3-20H,1-2,21-24H2;3-22H,1-2H2/b;48-47+;;;;
InChIKeyLIJCIBKVQFMFOB-CRHRZJJTSA-N
XLogP56.40
TPSA1164.65 Ų
H-Bond Donors
H-Bond Acceptors99
Rotatable Bonds113
Heavy Atoms425
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005902.77
LogP ≤ 556.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1099

Analyze bis[2,2-difluoro-7-[4-(2-prop-2-enoyloxyethoxy)benzoyl]oxy-1,3-benzodioxol-4-yl] benzene-1,4-dicarboxylate;7-O-[2,2-difluoro-7-[2-oxo-2-[4-(4-prop-2-enoyloxybutoxy)phenyl]ethyl]-1,3-benzodioxol-4-yl] 2-O-[2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxol-4-yl] 9-methyl-9H-fluorene-2,7-dicarboxylate;[7-[2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxole-4-carbonyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] 2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxole-4-carboxylate;[7-[(E)-2-[2,2-difluoro-7-[4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoyl]oxy-1,3-benzodioxol-4-yl]-1,2-difluoroethenyl]-2,2-difluoro-1,3-benzodioxol-4-yl] 4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoate;1-O-[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxol-4-yl] 4-O-[7-[4-[[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxol-4-yl]oxycarbonyl]benzoyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] benzene-1,4-dicarboxylate;(4-prop-2-enoyloxyphenyl) 4-[2,2-difluoro-7-[4-(4-prop-2-enoyloxyphenoxy)carbonylphenyl]-1,3-benzodioxol-4-yl]benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis[2,2-difluoro-7-[4-(2-prop-2-enoyloxyethoxy)benzoyl]oxy-1,3-benzodioxol-4-yl] benzene-1,4-dicarboxylate;7-O-[2,2-difluoro-7-[2-oxo-2-[4-(4-prop-2-enoyloxybutoxy)phenyl]ethyl]-1,3-benzodioxol-4-yl] 2-O-[2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxol-4-yl] 9-methyl-9H-fluorene-2,7-dicarboxylate;[7-[2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxole-4-carbonyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] 2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxole-4-carboxylate;[7-[(E)-2-[2,2-difluoro-7-[4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoyl]oxy-1,3-benzodioxol-4-yl]-1,2-difluoroethenyl]-2,2-difluoro-1,3-benzodioxol-4-yl] 4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoate;1-O-[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxol-4-yl] 4-O-[7-[4-[[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxol-4-yl]oxycarbonyl]benzoyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] benzene-1,4-dicarboxylate;(4-prop-2-enoyloxyphenyl) 4-[2,2-difluoro-7-[4-(4-prop-2-enoyloxyphenoxy)carbonylphenyl]-1,3-benzodioxol-4-yl]benzoate?
The IUPAC name of bis[2,2-difluoro-7-[4-(2-prop-2-enoyloxyethoxy)benzoyl]oxy-1,3-benzodioxol-4-yl] benzene-1,4-dicarboxylate;7-O-[2,2-difluoro-7-[2-oxo-2-[4-(4-prop-2-enoyloxybutoxy)phenyl]ethyl]-1,3-benzodioxol-4-yl] 2-O-[2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxol-4-yl] 9-methyl-9H-fluorene-2,7-dicarboxylate;[7-[2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxole-4-carbonyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] 2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxole-4-carboxylate;[7-[(E)-2-[2,2-difluoro-7-[4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoyl]oxy-1,3-benzodioxol-4-yl]-1,2-difluoroethenyl]-2,2-difluoro-1,3-benzodioxol-4-yl] 4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoate;1-O-[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxol-4-yl] 4-O-[7-[4-[[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxol-4-yl]oxycarbonyl]benzoyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] benzene-1,4-dicarboxylate;(4-prop-2-enoyloxyphenyl) 4-[2,2-difluoro-7-[4-(4-prop-2-enoyloxyphenoxy)carbonylphenyl]-1,3-benzodioxol-4-yl]benzoate (CID 159359597) is bis[2,2-difluoro-7-[4-(2-prop-2-enoyloxyethoxy)benzoyl]oxy-1,3-benzodioxol-4-yl] benzene-1,4-dicarboxylate;7-O-[2,2-difluoro-7-[2-oxo-2-[4-(4-prop-2-enoyloxybutoxy)phenyl]ethyl]-1,3-benzodioxol-4-yl] 2-O-[2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxol-4-yl] 9-methyl-9H-fluorene-2,7-dicarboxylate;[7-[2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxole-4-carbonyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] 2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxole-4-carboxylate;[7-[(E)-2-[2,2-difluoro-7-[4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoyl]oxy-1,3-benzodioxol-4-yl]-1,2-difluoroethenyl]-2,2-difluoro-1,3-benzodioxol-4-yl] 4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoate;1-O-[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxol-4-yl] 4-O-[7-[4-[[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxol-4-yl]oxycarbonyl]benzoyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] benzene-1,4-dicarboxylate;(4-prop-2-enoyloxyphenyl) 4-[2,2-difluoro-7-[4-(4-prop-2-enoyloxyphenoxy)carbonylphenyl]-1,3-benzodioxol-4-yl]benzoate.
What is the SMILES notation for bis[2,2-difluoro-7-[4-(2-prop-2-enoyloxyethoxy)benzoyl]oxy-1,3-benzodioxol-4-yl] benzene-1,4-dicarboxylate;7-O-[2,2-difluoro-7-[2-oxo-2-[4-(4-prop-2-enoyloxybutoxy)phenyl]ethyl]-1,3-benzodioxol-4-yl] 2-O-[2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxol-4-yl] 9-methyl-9H-fluorene-2,7-dicarboxylate;[7-[2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxole-4-carbonyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] 2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxole-4-carboxylate;[7-[(E)-2-[2,2-difluoro-7-[4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoyl]oxy-1,3-benzodioxol-4-yl]-1,2-difluoroethenyl]-2,2-difluoro-1,3-benzodioxol-4-yl] 4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoate;1-O-[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxol-4-yl] 4-O-[7-[4-[[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxol-4-yl]oxycarbonyl]benzoyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] benzene-1,4-dicarboxylate;(4-prop-2-enoyloxyphenyl) 4-[2,2-difluoro-7-[4-(4-prop-2-enoyloxyphenoxy)carbonylphenyl]-1,3-benzodioxol-4-yl]benzoate?
The canonical SMILES for bis[2,2-difluoro-7-[4-(2-prop-2-enoyloxyethoxy)benzoyl]oxy-1,3-benzodioxol-4-yl] benzene-1,4-dicarboxylate;7-O-[2,2-difluoro-7-[2-oxo-2-[4-(4-prop-2-enoyloxybutoxy)phenyl]ethyl]-1,3-benzodioxol-4-yl] 2-O-[2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxol-4-yl] 9-methyl-9H-fluorene-2,7-dicarboxylate;[7-[2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxole-4-carbonyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] 2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxole-4-carboxylate;[7-[(E)-2-[2,2-difluoro-7-[4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoyl]oxy-1,3-benzodioxol-4-yl]-1,2-difluoroethenyl]-2,2-difluoro-1,3-benzodioxol-4-yl] 4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoate;1-O-[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxol-4-yl] 4-O-[7-[4-[[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxol-4-yl]oxycarbonyl]benzoyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] benzene-1,4-dicarboxylate;(4-prop-2-enoyloxyphenyl) 4-[2,2-difluoro-7-[4-(4-prop-2-enoyloxyphenoxy)carbonylphenyl]-1,3-benzodioxol-4-yl]benzoate is C=CC(=O)OCCCCOc1ccc(-c2ccc(C(=O)Oc3ccc(/C(F)=C(\F)c4ccc(OC(=O)c5ccc(-c6ccc(OCCCCOC(=O)C=C)cc6)cc5)c5c4OC(F)(F)O5)c4c3OC(F)(F)O4)cc2)cc1.C=CC(=O)OCCCCOc1ccc(C(=O)Cc2ccc(OC(=O)c3ccc4c(c3)C(C)c3cc(C(=O)Oc5ccc(OC(=O)c6ccc(OCCCCOC(=O)C=C)cc6)c6c5OC(F)(F)O6)ccc3-4)c3c2OC(F)(F)O3)cc1.C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(OC(=O)c4ccc(OC(=O)c5ccc(OCCCCOC(=O)C=C)cc5)c5c4OC(F)(F)O5)c4c3OC(F)(F)O4)c3c2OC(F)(F)O3)cc1.C=CC(=O)OCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(C(=O)Oc4ccc(OC(=O)c5ccc(OCCOC(=O)C=C)cc5)c5c4OC(F)(F)O5)cc3)c3c2OC(F)(F)O3)cc1.C=CC(=O)OCCOc1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(OC(=O)c4ccc(C(=O)Oc5ccc(OCCOC(=O)C=C)c6c5OC(F)(F)O6)cc4)c4c3OC(F)(F)O4)cc2)c2c1OC(F)(F)O2.C=CC(=O)Oc1ccc(OC(=O)c2ccc(-c3ccc(-c4ccc(C(=O)Oc5ccc(OC(=O)C=C)cc5)cc4)c4c3OC(F)(F)O4)cc2)cc1.
What is the InChIKey of bis[2,2-difluoro-7-[4-(2-prop-2-enoyloxyethoxy)benzoyl]oxy-1,3-benzodioxol-4-yl] benzene-1,4-dicarboxylate;7-O-[2,2-difluoro-7-[2-oxo-2-[4-(4-prop-2-enoyloxybutoxy)phenyl]ethyl]-1,3-benzodioxol-4-yl] 2-O-[2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxol-4-yl] 9-methyl-9H-fluorene-2,7-dicarboxylate;[7-[2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxole-4-carbonyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] 2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxole-4-carboxylate;[7-[(E)-2-[2,2-difluoro-7-[4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoyl]oxy-1,3-benzodioxol-4-yl]-1,2-difluoroethenyl]-2,2-difluoro-1,3-benzodioxol-4-yl] 4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoate;1-O-[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxol-4-yl] 4-O-[7-[4-[[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxol-4-yl]oxycarbonyl]benzoyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] benzene-1,4-dicarboxylate;(4-prop-2-enoyloxyphenyl) 4-[2,2-difluoro-7-[4-(4-prop-2-enoyloxyphenoxy)carbonylphenyl]-1,3-benzodioxol-4-yl]benzoate?
The InChIKey is LIJCIBKVQFMFOB-CRHRZJJTSA-N. The full InChI is InChI=1S/C59H46F4O17.C56H42F6O14.C51H36F6O20.C47H28F6O20.C46H30F4O18.C39H24F2O10/c1-4-49(65)72-28-8-6-26-70-39-17-10-34(11-18-39)45(64)32-36-16-23-46(52-51(36)77-58(60,61)78-52)75-56(68)37-14-21-41-42-22-15-38(31-44(42)33(3)43(41)30-37)57(69)76-48-25-24-47(53-54(48)80-59(62,63)79-53)74-55(67)35-12-19-40(20-13-35)71-27-7-9-29-73-50(66)5-2;1-3-45(63)69-31-7-5-29-67-39-21-17-35(18-22-39)33-9-13-37(14-10-33)53(65)71-43-27-25-41(49-51(43)75-55(59,60)73-49)47(57)48(58)42-26-28-44(52-50(42)74-56(61,62)76-52)72-54(66)38-15-11-34(12-16-38)36-19-23-40(24-20-36)68-30-6-8-32-70-46(64)4-2;1-3-37(58)66-25-7-5-23-64-29-13-9-27(10-14-29)45(60)68-33-19-17-31(39-41(33)74-49(52,53)72-39)47(62)70-35-21-22-36(44-43(35)76-51(56,57)77-44)71-48(63)32-18-20-34(42-40(32)73-50(54,55)75-42)69-46(61)28-11-15-30(16-12-28)65-24-6-8-26-67-38(59)4-2;1-3-33(54)62-21-19-60-27-13-15-29(37-35(27)68-45(48,49)70-37)64-41(56)23-5-9-25(10-6-23)43(58)66-31-17-18-32(40-39(31)72-47(52,53)73-40)67-44(59)26-11-7-24(8-12-26)42(57)65-30-16-14-28(61-20-22-63-34(55)4-2)36-38(30)71-46(50,51)69-36;1-3-35(51)59-23-21-57-29-13-9-27(10-14-29)43(55)63-33-19-17-31(37-39(33)67-45(47,48)65-37)61-41(53)25-5-7-26(8-6-25)42(54)62-32-18-20-34(40-38(32)66-46(49,50)68-40)64-44(56)28-11-15-30(16-12-28)58-22-24-60-36(52)4-2;1-3-33(42)46-27-13-17-29(18-14-27)48-37(44)25-9-5-23(6-10-25)31-21-22-32(36-35(31)50-39(40,41)51-36)24-7-11-26(12-8-24)38(45)49-30-19-15-28(16-20-30)47-34(43)4-2/h4-5,10-25,30-31,33H,1-2,6-9,26-29,32H2,3H3;3-4,9-28H,1-2,5-8,29-32H2;3-4,9-22H,1-2,5-8,23-26H2;3-18H,1-2,19-22H2;3-20H,1-2,21-24H2;3-22H,1-2H2/b;48-47+;;;;.
What are the key properties of bis[2,2-difluoro-7-[4-(2-prop-2-enoyloxyethoxy)benzoyl]oxy-1,3-benzodioxol-4-yl] benzene-1,4-dicarboxylate;7-O-[2,2-difluoro-7-[2-oxo-2-[4-(4-prop-2-enoyloxybutoxy)phenyl]ethyl]-1,3-benzodioxol-4-yl] 2-O-[2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxol-4-yl] 9-methyl-9H-fluorene-2,7-dicarboxylate;[7-[2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxole-4-carbonyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] 2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxole-4-carboxylate;[7-[(E)-2-[2,2-difluoro-7-[4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoyl]oxy-1,3-benzodioxol-4-yl]-1,2-difluoroethenyl]-2,2-difluoro-1,3-benzodioxol-4-yl] 4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoate;1-O-[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxol-4-yl] 4-O-[7-[4-[[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxol-4-yl]oxycarbonyl]benzoyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] benzene-1,4-dicarboxylate;(4-prop-2-enoyloxyphenyl) 4-[2,2-difluoro-7-[4-(4-prop-2-enoyloxyphenoxy)carbonylphenyl]-1,3-benzodioxol-4-yl]benzoate?
bis[2,2-difluoro-7-[4-(2-prop-2-enoyloxyethoxy)benzoyl]oxy-1,3-benzodioxol-4-yl] benzene-1,4-dicarboxylate;7-O-[2,2-difluoro-7-[2-oxo-2-[4-(4-prop-2-enoyloxybutoxy)phenyl]ethyl]-1,3-benzodioxol-4-yl] 2-O-[2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxol-4-yl] 9-methyl-9H-fluorene-2,7-dicarboxylate;[7-[2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxole-4-carbonyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] 2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxole-4-carboxylate;[7-[(E)-2-[2,2-difluoro-7-[4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoyl]oxy-1,3-benzodioxol-4-yl]-1,2-difluoroethenyl]-2,2-difluoro-1,3-benzodioxol-4-yl] 4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoate;1-O-[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxol-4-yl] 4-O-[7-[4-[[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxol-4-yl]oxycarbonyl]benzoyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] benzene-1,4-dicarboxylate;(4-prop-2-enoyloxyphenyl) 4-[2,2-difluoro-7-[4-(4-prop-2-enoyloxyphenoxy)carbonylphenyl]-1,3-benzodioxol-4-yl]benzoate has a molecular weight of 5902.77 g/mol, XLogP of 56.40, 113 rotatable bonds, 0 hydrogen bond donors, and 99 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2,2-difluoro-7-[4-(2-prop-2-enoyloxyethoxy)benzoyl]oxy-1,3-benzodioxol-4-yl] benzene-1,4-dicarboxylate;7-O-[2,2-difluoro-7-[2-oxo-2-[4-(4-prop-2-enoyloxybutoxy)phenyl]ethyl]-1,3-benzodioxol-4-yl] 2-O-[2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxol-4-yl] 9-methyl-9H-fluorene-2,7-dicarboxylate;[7-[2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxole-4-carbonyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] 2,2-difluoro-7-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-1,3-benzodioxole-4-carboxylate;[7-[(E)-2-[2,2-difluoro-7-[4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoyl]oxy-1,3-benzodioxol-4-yl]-1,2-difluoroethenyl]-2,2-difluoro-1,3-benzodioxol-4-yl] 4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoate;1-O-[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxol-4-yl] 4-O-[7-[4-[[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxol-4-yl]oxycarbonyl]benzoyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] benzene-1,4-dicarboxylate;(4-prop-2-enoyloxyphenyl) 4-[2,2-difluoro-7-[4-(4-prop-2-enoyloxyphenoxy)carbonylphenyl]-1,3-benzodioxol-4-yl]benzoate is sourced from PubChem (CID 159359597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).