[2,2-difluoro-7-[5-fluoro-6-(4-prop-2-enoyloxybutoxy)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]oxy-1,3-benzodioxol-4-yl] 5-fluoro-6-(4-prop-2-enoyloxybutoxy)-1,2,3,4-tetrahydronaphthalene-2-carboxylate;[2,2-difluoro-7-[9-methyl-7-(6-prop-2-enoyloxyhexoxy)-9H-fluorene-2-carbonyl]oxy-1,3-benzodioxol-4-yl] 9-methyl-7-(6-prop-2-enoyloxyhexoxy)-9H-fluorene-2-carboxylate;[7-[9,9-difluoro-7-(4-prop-2-enoyloxybutoxy)fluorene-2-carbonyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] 9,9-difluoro-7-(4-prop-2-enoyloxybutoxy)fluorene-2-carboxylate;[4-[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxole-4-carbonyl]oxy-3-methylphenyl] 2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxole-4-carboxylate;[4-[4-[[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxol-4-yl]oxycarbonyl]phenoxy]carbonylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxol-4-yl] 4-[2-[4-[4-(4-prop-2-enoyloxybutoxy)cyclohexyl]phenyl]ethyl]benzoate

C278H264F20O74 — CID 157255046

IUPAC[2,2-difluoro-7-[5-fluoro-6-(4-prop-2-enoyloxybutoxy)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]oxy-1,3-benzodioxol-4-yl] 5-fluoro-6-(4-prop-2-enoyloxybutoxy)-1,2,3,4-tetrahydronaphthalene-2-carboxylate;[2,2-difluoro-7-[9-methyl-7-(6-prop-2-enoyloxyhexoxy)-9H-fluorene-2-carbonyl]oxy-1,3-benzodioxol-4-yl] 9-methyl-7-(6-prop-2-enoyloxyhexoxy)-9H-fluorene-2-carboxylate;[7-[9,9-difluoro-7-(4-prop-2-enoyloxybutoxy)fluorene-2-carbonyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] 9,9-difluoro-7-(4-prop-2-enoyloxybutoxy)fluorene-2-carboxylate;[4-[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxole-4-carbonyl]oxy-3-methylphenyl] 2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxole-4-carboxylate;[4-[4-[[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxol-4-yl]oxycarbonyl]phenoxy]carbonylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxol-4-yl] 4-[2-[4-[4-(4-prop-2-enoyloxybutoxy)cyclohexyl]phenyl]ethyl]benzoate
SMILESC=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C(=O)Oc4ccc(OCCCCCCOC(=O)C=C)c5c4OC(F)(F)O5)cc3)cc2)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)c4c3OC(F)(F)O4)c(C)c2)c2c1OC(F)(F)O2.C=CC(=O)OCCCCCCOc1ccc(OC(=O)c2ccc(CCc3ccc(C4CCC(OCCCCOC(=O)C=C)CC4)cc3)cc2)c2c1OC(F)(F)O2.C=CC(=O)OCCCCCCOc1ccc2c(c1)C(C)c1cc(C(=O)Oc3ccc(OC(=O)c4ccc5c(c4)C(C)c4cc(OCCCCCCOC(=O)C=C)ccc4-5)c4c3OC(F)(F)O4)ccc1-2.C=CC(=O)OCCCCOc1ccc2c(c1)C(F)(F)c1cc(C(=O)Oc3ccc(OC(=O)c4ccc5c(c4)C(F)(F)c4cc(OCCCCOC(=O)C=C)ccc4-5)c4c3OC(F)(F)O4)ccc1-2.C=CC(=O)OCCCCOc1ccc2c(c1F)CCC(C(=O)Oc1ccc(OC(=O)C3CCc4c(ccc(OCCCCOC(=O)C=C)c4F)C3)c3c1OC(F)(F)O3)C2
InChIInChI=1S/C55H52F2O12.C49H36F6O12.C46H44F2O14.C44H50F2O10.C43H42F4O12.C41H40F4O14/c1-5-49(58)64-27-13-9-7-11-25-62-37-17-21-41-39-19-15-35(29-43(39)33(3)45(41)31-37)53(60)66-47-23-24-48(52-51(47)68-55(56,57)69-52)67-54(61)36-16-20-40-42-22-18-38(32-46(42)34(4)44(40)30-36)63-26-12-8-10-14-28-65-50(59)6-2;1-3-41(56)62-21-7-5-19-60-29-11-15-33-31-13-9-27(23-35(31)47(50,51)37(33)25-29)45(58)64-39-17-18-40(44-43(39)66-49(54,55)67-44)65-46(59)28-10-14-32-34-16-12-30(26-38(34)48(52,53)36(32)24-28)61-20-6-8-22-63-42(57)4-2;1-3-39(49)56-29-11-7-5-9-27-54-34-19-13-31(14-20-34)43(51)58-35-21-15-32(16-22-35)44(52)59-36-23-17-33(18-24-36)45(53)60-38-26-25-37(41-42(38)62-46(47,48)61-41)55-28-10-6-8-12-30-57-40(50)4-2;1-3-39(47)52-29-8-6-5-7-28-51-37-25-26-38(42-41(37)55-44(45,46)56-42)54-43(49)35-19-15-32(16-20-35)12-11-31-13-17-33(18-14-31)34-21-23-36(24-22-34)50-27-9-10-30-53-40(48)4-2;1-3-35(48)54-21-7-5-19-52-31-15-11-25-23-27(9-13-29(25)37(31)44)41(50)56-33-17-18-34(40-39(33)58-43(46,47)59-40)57-42(51)28-10-14-30-26(24-28)12-16-32(38(30)45)53-20-6-8-22-55-36(49)4-2;1-4-32(46)52-22-12-8-6-10-20-50-30-18-15-27(34-36(30)58-40(42,43)56-34)38(48)54-26-14-17-29(25(3)24-26)55-39(49)28-16-19-31(37-35(28)57-41(44,45)59-37)51-21-11-7-9-13-23-53-33(47)5-2/h5-6,15-24,29-34H,1-2,7-14,25-28H2,3-4H3;3-4,9-18,23-26H,1-2,5-8,19-22H2;3-4,13-26H,1-2,5-12,27-30H2;3-4,13-20,25-26,34,36H,1-2,5-12,21-24,27-30H2;3-4,11-12,15-18,27-28H,1-2,5-10,13-14,19-24H2;4-5,14-19,24H,1-2,6-13,20-23H2,3H3
InChIKeyAWUFRGPJPWUMLJ-UHFFFAOYSA-N
MW5169.06 g/mol
LogP56.64
Rot. Bonds126

About [2,2-difluoro-7-[5-fluoro-6-(4-prop-2-enoyloxybutoxy)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]oxy-1,3-benzodioxol-4-yl] 5-fluoro-6-(4-prop-2-enoyloxybutoxy)-1,2,3,4-tetrahydronaphthalene-2-carboxylate;[2,2-difluoro-7-[9-methyl-7-(6-prop-2-enoyloxyhexoxy)-9H-fluorene-2-carbonyl]oxy-1,3-benzodioxol-4-yl] 9-methyl-7-(6-prop-2-enoyloxyhexoxy)-9H-fluorene-2-carboxylate;[7-[9,9-difluoro-7-(4-prop-2-enoyloxybutoxy)fluorene-2-carbonyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] 9,9-difluoro-7-(4-prop-2-enoyloxybutoxy)fluorene-2-carboxylate;[4-[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxole-4-carbonyl]oxy-3-methylphenyl] 2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxole-4-carboxylate;[4-[4-[[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxol-4-yl]oxycarbonyl]phenoxy]carbonylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxol-4-yl] 4-[2-[4-[4-(4-prop-2-enoyloxybutoxy)cyclohexyl]phenyl]ethyl]benzoate

[2,2-difluoro-7-[5-fluoro-6-(4-prop-2-enoyloxybutoxy)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]oxy-1,3-benzodioxol-4-yl] 5-fluoro-6-(4-prop-2-enoyloxybutoxy)-1,2,3,4-tetrahydronaphthalene-2-carboxylate;[2,2-difluoro-7-[9-methyl-7-(6-prop-2-enoyloxyhexoxy)-9H-fluorene-2-carbonyl]oxy-1,3-benzodioxol-4-yl] 9-methyl-7-(6-prop-2-enoyloxyhexoxy)-9H-fluorene-2-carboxylate;[7-[9,9-difluoro-7-(4-prop-2-enoyloxybutoxy)fluorene-2-carbonyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] 9,9-difluoro-7-(4-prop-2-enoyloxybutoxy)fluorene-2-carboxylate;[4-[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxole-4-carbonyl]oxy-3-methylphenyl] 2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxole-4-carboxylate;[4-[4-[[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxol-4-yl]oxycarbonyl]phenoxy]carbonylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxol-4-yl] 4-[2-[4-[4-(4-prop-2-enoyloxybutoxy)cyclohexyl]phenyl]ethyl]benzoate (PubChem CID 157255046) has the molecular formula C278H264F20O74 and a molecular weight of 5169.06 g/mol. Its IUPAC name is [2,2-difluoro-7-[5-fluoro-6-(4-prop-2-enoyloxybutoxy)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]oxy-1,3-benzodioxol-4-yl] 5-fluoro-6-(4-prop-2-enoyloxybutoxy)-1,2,3,4-tetrahydronaphthalene-2-carboxylate;[2,2-difluoro-7-[9-methyl-7-(6-prop-2-enoyloxyhexoxy)-9H-fluorene-2-carbonyl]oxy-1,3-benzodioxol-4-yl] 9-methyl-7-(6-prop-2-enoyloxyhexoxy)-9H-fluorene-2-carboxylate;[7-[9,9-difluoro-7-(4-prop-2-enoyloxybutoxy)fluorene-2-carbonyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] 9,9-difluoro-7-(4-prop-2-enoyloxybutoxy)fluorene-2-carboxylate;[4-[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxole-4-carbonyl]oxy-3-methylphenyl] 2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxole-4-carboxylate;[4-[4-[[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxol-4-yl]oxycarbonyl]phenoxy]carbonylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxol-4-yl] 4-[2-[4-[4-(4-prop-2-enoyloxybutoxy)cyclohexyl]phenyl]ethyl]benzoate.

Molecular Properties

Compound Name[2,2-difluoro-7-[5-fluoro-6-(4-prop-2-enoyloxybutoxy)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]oxy-1,3-benzodioxol-4-yl] 5-fluoro-6-(4-prop-2-enoyloxybutoxy)-1,2,3,4-tetrahydronaphthalene-2-carboxylate;[2,2-difluoro-7-[9-methyl-7-(6-prop-2-enoyloxyhexoxy)-9H-fluorene-2-carbonyl]oxy-1,3-benzodioxol-4-yl] 9-methyl-7-(6-prop-2-enoyloxyhexoxy)-9H-fluorene-2-carboxylate;[7-[9,9-difluoro-7-(4-prop-2-enoyloxybutoxy)fluorene-2-carbonyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] 9,9-difluoro-7-(4-prop-2-enoyloxybutoxy)fluorene-2-carboxylate;[4-[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxole-4-carbonyl]oxy-3-methylphenyl] 2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxole-4-carboxylate;[4-[4-[[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxol-4-yl]oxycarbonyl]phenoxy]carbonylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxol-4-yl] 4-[2-[4-[4-(4-prop-2-enoyloxybutoxy)cyclohexyl]phenyl]ethyl]benzoate
PubChem CID157255046
Molecular FormulaC278H264F20O74
Molecular Weight5169.06 g/mol
Exact Mass5165.66
IUPAC Name[2,2-difluoro-7-[5-fluoro-6-(4-prop-2-enoyloxybutoxy)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]oxy-1,3-benzodioxol-4-yl] 5-fluoro-6-(4-prop-2-enoyloxybutoxy)-1,2,3,4-tetrahydronaphthalene-2-carboxylate;[2,2-difluoro-7-[9-methyl-7-(6-prop-2-enoyloxyhexoxy)-9H-fluorene-2-carbonyl]oxy-1,3-benzodioxol-4-yl] 9-methyl-7-(6-prop-2-enoyloxyhexoxy)-9H-fluorene-2-carboxylate;[7-[9,9-difluoro-7-(4-prop-2-enoyloxybutoxy)fluorene-2-carbonyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] 9,9-difluoro-7-(4-prop-2-enoyloxybutoxy)fluorene-2-carboxylate;[4-[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxole-4-carbonyl]oxy-3-methylphenyl] 2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxole-4-carboxylate;[4-[4-[[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxol-4-yl]oxycarbonyl]phenoxy]carbonylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxol-4-yl] 4-[2-[4-[4-(4-prop-2-enoyloxybutoxy)cyclohexyl]phenyl]ethyl]benzoate
SMILESC=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C(=O)Oc4ccc(OCCCCCCOC(=O)C=C)c5c4OC(F)(F)O5)cc3)cc2)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)c4c3OC(F)(F)O4)c(C)c2)c2c1OC(F)(F)O2.C=CC(=O)OCCCCCCOc1ccc(OC(=O)c2ccc(CCc3ccc(C4CCC(OCCCCOC(=O)C=C)CC4)cc3)cc2)c2c1OC(F)(F)O2.C=CC(=O)OCCCCCCOc1ccc2c(c1)C(C)c1cc(C(=O)Oc3ccc(OC(=O)c4ccc5c(c4)C(C)c4cc(OCCCCCCOC(=O)C=C)ccc4-5)c4c3OC(F)(F)O4)ccc1-2.C=CC(=O)OCCCCOc1ccc2c(c1)C(F)(F)c1cc(C(=O)Oc3ccc(OC(=O)c4ccc5c(c4)C(F)(F)c4cc(OCCCCOC(=O)C=C)ccc4-5)c4c3OC(F)(F)O4)ccc1-2.C=CC(=O)OCCCCOc1ccc2c(c1F)CCC(C(=O)Oc1ccc(OC(=O)C3CCc4c(ccc(OCCCCOC(=O)C=C)c4F)C3)c3c1OC(F)(F)O3)C2
InChIInChI=1S/C55H52F2O12.C49H36F6O12.C46H44F2O14.C44H50F2O10.C43H42F4O12.C41H40F4O14/c1-5-49(58)64-27-13-9-7-11-25-62-37-17-21-41-39-19-15-35(29-43(39)33(3)45(41)31-37)53(60)66-47-23-24-48(52-51(47)68-55(56,57)69-52)67-54(61)36-16-20-40-42-22-18-38(32-46(42)34(4)44(40)30-36)63-26-12-8-10-14-28-65-50(59)6-2;1-3-41(56)62-21-7-5-19-60-29-11-15-33-31-13-9-27(23-35(31)47(50,51)37(33)25-29)45(58)64-39-17-18-40(44-43(39)66-49(54,55)67-44)65-46(59)28-10-14-32-34-16-12-30(26-38(34)48(52,53)36(32)24-28)61-20-6-8-22-63-42(57)4-2;1-3-39(49)56-29-11-7-5-9-27-54-34-19-13-31(14-20-34)43(51)58-35-21-15-32(16-22-35)44(52)59-36-23-17-33(18-24-36)45(53)60-38-26-25-37(41-42(38)62-46(47,48)61-41)55-28-10-6-8-12-30-57-40(50)4-2;1-3-39(47)52-29-8-6-5-7-28-51-37-25-26-38(42-41(37)55-44(45,46)56-42)54-43(49)35-19-15-32(16-20-35)12-11-31-13-17-33(18-14-31)34-21-23-36(24-22-34)50-27-9-10-30-53-40(48)4-2;1-3-35(48)54-21-7-5-19-52-31-15-11-25-23-27(9-13-29(25)37(31)44)41(50)56-33-17-18-34(40-39(33)58-43(46,47)59-40)57-42(51)28-10-14-30-26(24-28)12-16-32(38(30)45)53-20-6-8-22-55-36(49)4-2;1-4-32(46)52-22-12-8-6-10-20-50-30-18-15-27(34-36(30)58-40(42,43)56-34)38(48)54-26-14-17-29(25(3)24-26)55-39(49)28-16-19-31(37-35(28)57-41(44,45)59-37)51-21-11-7-9-13-23-53-33(47)5-2/h5-6,15-24,29-34H,1-2,7-14,25-28H2,3-4H3;3-4,9-18,23-26H,1-2,5-8,19-22H2;3-4,13-26H,1-2,5-12,27-30H2;3-4,13-20,25-26,34,36H,1-2,5-12,21-24,27-30H2;3-4,11-12,15-18,27-28H,1-2,5-10,13-14,19-24H2;4-5,14-19,24H,1-2,6-13,20-23H2,3H3
InChIKeyAWUFRGPJPWUMLJ-UHFFFAOYSA-N
XLogP56.64
TPSA871.18 Ų
H-Bond Donors
H-Bond Acceptors74
Rotatable Bonds126
Heavy Atoms372
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005169.06
LogP ≤ 556.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1074

Analyze [2,2-difluoro-7-[5-fluoro-6-(4-prop-2-enoyloxybutoxy)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]oxy-1,3-benzodioxol-4-yl] 5-fluoro-6-(4-prop-2-enoyloxybutoxy)-1,2,3,4-tetrahydronaphthalene-2-carboxylate;[2,2-difluoro-7-[9-methyl-7-(6-prop-2-enoyloxyhexoxy)-9H-fluorene-2-carbonyl]oxy-1,3-benzodioxol-4-yl] 9-methyl-7-(6-prop-2-enoyloxyhexoxy)-9H-fluorene-2-carboxylate;[7-[9,9-difluoro-7-(4-prop-2-enoyloxybutoxy)fluorene-2-carbonyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] 9,9-difluoro-7-(4-prop-2-enoyloxybutoxy)fluorene-2-carboxylate;[4-[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxole-4-carbonyl]oxy-3-methylphenyl] 2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxole-4-carboxylate;[4-[4-[[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxol-4-yl]oxycarbonyl]phenoxy]carbonylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxol-4-yl] 4-[2-[4-[4-(4-prop-2-enoyloxybutoxy)cyclohexyl]phenyl]ethyl]benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2,2-difluoro-7-[5-fluoro-6-(4-prop-2-enoyloxybutoxy)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]oxy-1,3-benzodioxol-4-yl] 5-fluoro-6-(4-prop-2-enoyloxybutoxy)-1,2,3,4-tetrahydronaphthalene-2-carboxylate;[2,2-difluoro-7-[9-methyl-7-(6-prop-2-enoyloxyhexoxy)-9H-fluorene-2-carbonyl]oxy-1,3-benzodioxol-4-yl] 9-methyl-7-(6-prop-2-enoyloxyhexoxy)-9H-fluorene-2-carboxylate;[7-[9,9-difluoro-7-(4-prop-2-enoyloxybutoxy)fluorene-2-carbonyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] 9,9-difluoro-7-(4-prop-2-enoyloxybutoxy)fluorene-2-carboxylate;[4-[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxole-4-carbonyl]oxy-3-methylphenyl] 2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxole-4-carboxylate;[4-[4-[[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxol-4-yl]oxycarbonyl]phenoxy]carbonylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxol-4-yl] 4-[2-[4-[4-(4-prop-2-enoyloxybutoxy)cyclohexyl]phenyl]ethyl]benzoate?
The IUPAC name of [2,2-difluoro-7-[5-fluoro-6-(4-prop-2-enoyloxybutoxy)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]oxy-1,3-benzodioxol-4-yl] 5-fluoro-6-(4-prop-2-enoyloxybutoxy)-1,2,3,4-tetrahydronaphthalene-2-carboxylate;[2,2-difluoro-7-[9-methyl-7-(6-prop-2-enoyloxyhexoxy)-9H-fluorene-2-carbonyl]oxy-1,3-benzodioxol-4-yl] 9-methyl-7-(6-prop-2-enoyloxyhexoxy)-9H-fluorene-2-carboxylate;[7-[9,9-difluoro-7-(4-prop-2-enoyloxybutoxy)fluorene-2-carbonyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] 9,9-difluoro-7-(4-prop-2-enoyloxybutoxy)fluorene-2-carboxylate;[4-[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxole-4-carbonyl]oxy-3-methylphenyl] 2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxole-4-carboxylate;[4-[4-[[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxol-4-yl]oxycarbonyl]phenoxy]carbonylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxol-4-yl] 4-[2-[4-[4-(4-prop-2-enoyloxybutoxy)cyclohexyl]phenyl]ethyl]benzoate (CID 157255046) is [2,2-difluoro-7-[5-fluoro-6-(4-prop-2-enoyloxybutoxy)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]oxy-1,3-benzodioxol-4-yl] 5-fluoro-6-(4-prop-2-enoyloxybutoxy)-1,2,3,4-tetrahydronaphthalene-2-carboxylate;[2,2-difluoro-7-[9-methyl-7-(6-prop-2-enoyloxyhexoxy)-9H-fluorene-2-carbonyl]oxy-1,3-benzodioxol-4-yl] 9-methyl-7-(6-prop-2-enoyloxyhexoxy)-9H-fluorene-2-carboxylate;[7-[9,9-difluoro-7-(4-prop-2-enoyloxybutoxy)fluorene-2-carbonyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] 9,9-difluoro-7-(4-prop-2-enoyloxybutoxy)fluorene-2-carboxylate;[4-[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxole-4-carbonyl]oxy-3-methylphenyl] 2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxole-4-carboxylate;[4-[4-[[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxol-4-yl]oxycarbonyl]phenoxy]carbonylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxol-4-yl] 4-[2-[4-[4-(4-prop-2-enoyloxybutoxy)cyclohexyl]phenyl]ethyl]benzoate.
What is the SMILES notation for [2,2-difluoro-7-[5-fluoro-6-(4-prop-2-enoyloxybutoxy)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]oxy-1,3-benzodioxol-4-yl] 5-fluoro-6-(4-prop-2-enoyloxybutoxy)-1,2,3,4-tetrahydronaphthalene-2-carboxylate;[2,2-difluoro-7-[9-methyl-7-(6-prop-2-enoyloxyhexoxy)-9H-fluorene-2-carbonyl]oxy-1,3-benzodioxol-4-yl] 9-methyl-7-(6-prop-2-enoyloxyhexoxy)-9H-fluorene-2-carboxylate;[7-[9,9-difluoro-7-(4-prop-2-enoyloxybutoxy)fluorene-2-carbonyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] 9,9-difluoro-7-(4-prop-2-enoyloxybutoxy)fluorene-2-carboxylate;[4-[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxole-4-carbonyl]oxy-3-methylphenyl] 2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxole-4-carboxylate;[4-[4-[[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxol-4-yl]oxycarbonyl]phenoxy]carbonylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxol-4-yl] 4-[2-[4-[4-(4-prop-2-enoyloxybutoxy)cyclohexyl]phenyl]ethyl]benzoate?
The canonical SMILES for [2,2-difluoro-7-[5-fluoro-6-(4-prop-2-enoyloxybutoxy)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]oxy-1,3-benzodioxol-4-yl] 5-fluoro-6-(4-prop-2-enoyloxybutoxy)-1,2,3,4-tetrahydronaphthalene-2-carboxylate;[2,2-difluoro-7-[9-methyl-7-(6-prop-2-enoyloxyhexoxy)-9H-fluorene-2-carbonyl]oxy-1,3-benzodioxol-4-yl] 9-methyl-7-(6-prop-2-enoyloxyhexoxy)-9H-fluorene-2-carboxylate;[7-[9,9-difluoro-7-(4-prop-2-enoyloxybutoxy)fluorene-2-carbonyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] 9,9-difluoro-7-(4-prop-2-enoyloxybutoxy)fluorene-2-carboxylate;[4-[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxole-4-carbonyl]oxy-3-methylphenyl] 2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxole-4-carboxylate;[4-[4-[[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxol-4-yl]oxycarbonyl]phenoxy]carbonylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxol-4-yl] 4-[2-[4-[4-(4-prop-2-enoyloxybutoxy)cyclohexyl]phenyl]ethyl]benzoate is C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C(=O)Oc4ccc(OCCCCCCOC(=O)C=C)c5c4OC(F)(F)O5)cc3)cc2)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)c4c3OC(F)(F)O4)c(C)c2)c2c1OC(F)(F)O2.C=CC(=O)OCCCCCCOc1ccc(OC(=O)c2ccc(CCc3ccc(C4CCC(OCCCCOC(=O)C=C)CC4)cc3)cc2)c2c1OC(F)(F)O2.C=CC(=O)OCCCCCCOc1ccc2c(c1)C(C)c1cc(C(=O)Oc3ccc(OC(=O)c4ccc5c(c4)C(C)c4cc(OCCCCCCOC(=O)C=C)ccc4-5)c4c3OC(F)(F)O4)ccc1-2.C=CC(=O)OCCCCOc1ccc2c(c1)C(F)(F)c1cc(C(=O)Oc3ccc(OC(=O)c4ccc5c(c4)C(F)(F)c4cc(OCCCCOC(=O)C=C)ccc4-5)c4c3OC(F)(F)O4)ccc1-2.C=CC(=O)OCCCCOc1ccc2c(c1F)CCC(C(=O)Oc1ccc(OC(=O)C3CCc4c(ccc(OCCCCOC(=O)C=C)c4F)C3)c3c1OC(F)(F)O3)C2.
What is the InChIKey of [2,2-difluoro-7-[5-fluoro-6-(4-prop-2-enoyloxybutoxy)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]oxy-1,3-benzodioxol-4-yl] 5-fluoro-6-(4-prop-2-enoyloxybutoxy)-1,2,3,4-tetrahydronaphthalene-2-carboxylate;[2,2-difluoro-7-[9-methyl-7-(6-prop-2-enoyloxyhexoxy)-9H-fluorene-2-carbonyl]oxy-1,3-benzodioxol-4-yl] 9-methyl-7-(6-prop-2-enoyloxyhexoxy)-9H-fluorene-2-carboxylate;[7-[9,9-difluoro-7-(4-prop-2-enoyloxybutoxy)fluorene-2-carbonyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] 9,9-difluoro-7-(4-prop-2-enoyloxybutoxy)fluorene-2-carboxylate;[4-[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxole-4-carbonyl]oxy-3-methylphenyl] 2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxole-4-carboxylate;[4-[4-[[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxol-4-yl]oxycarbonyl]phenoxy]carbonylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxol-4-yl] 4-[2-[4-[4-(4-prop-2-enoyloxybutoxy)cyclohexyl]phenyl]ethyl]benzoate?
The InChIKey is AWUFRGPJPWUMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H52F2O12.C49H36F6O12.C46H44F2O14.C44H50F2O10.C43H42F4O12.C41H40F4O14/c1-5-49(58)64-27-13-9-7-11-25-62-37-17-21-41-39-19-15-35(29-43(39)33(3)45(41)31-37)53(60)66-47-23-24-48(52-51(47)68-55(56,57)69-52)67-54(61)36-16-20-40-42-22-18-38(32-46(42)34(4)44(40)30-36)63-26-12-8-10-14-28-65-50(59)6-2;1-3-41(56)62-21-7-5-19-60-29-11-15-33-31-13-9-27(23-35(31)47(50,51)37(33)25-29)45(58)64-39-17-18-40(44-43(39)66-49(54,55)67-44)65-46(59)28-10-14-32-34-16-12-30(26-38(34)48(52,53)36(32)24-28)61-20-6-8-22-63-42(57)4-2;1-3-39(49)56-29-11-7-5-9-27-54-34-19-13-31(14-20-34)43(51)58-35-21-15-32(16-22-35)44(52)59-36-23-17-33(18-24-36)45(53)60-38-26-25-37(41-42(38)62-46(47,48)61-41)55-28-10-6-8-12-30-57-40(50)4-2;1-3-39(47)52-29-8-6-5-7-28-51-37-25-26-38(42-41(37)55-44(45,46)56-42)54-43(49)35-19-15-32(16-20-35)12-11-31-13-17-33(18-14-31)34-21-23-36(24-22-34)50-27-9-10-30-53-40(48)4-2;1-3-35(48)54-21-7-5-19-52-31-15-11-25-23-27(9-13-29(25)37(31)44)41(50)56-33-17-18-34(40-39(33)58-43(46,47)59-40)57-42(51)28-10-14-30-26(24-28)12-16-32(38(30)45)53-20-6-8-22-55-36(49)4-2;1-4-32(46)52-22-12-8-6-10-20-50-30-18-15-27(34-36(30)58-40(42,43)56-34)38(48)54-26-14-17-29(25(3)24-26)55-39(49)28-16-19-31(37-35(28)57-41(44,45)59-37)51-21-11-7-9-13-23-53-33(47)5-2/h5-6,15-24,29-34H,1-2,7-14,25-28H2,3-4H3;3-4,9-18,23-26H,1-2,5-8,19-22H2;3-4,13-26H,1-2,5-12,27-30H2;3-4,13-20,25-26,34,36H,1-2,5-12,21-24,27-30H2;3-4,11-12,15-18,27-28H,1-2,5-10,13-14,19-24H2;4-5,14-19,24H,1-2,6-13,20-23H2,3H3.
What are the key properties of [2,2-difluoro-7-[5-fluoro-6-(4-prop-2-enoyloxybutoxy)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]oxy-1,3-benzodioxol-4-yl] 5-fluoro-6-(4-prop-2-enoyloxybutoxy)-1,2,3,4-tetrahydronaphthalene-2-carboxylate;[2,2-difluoro-7-[9-methyl-7-(6-prop-2-enoyloxyhexoxy)-9H-fluorene-2-carbonyl]oxy-1,3-benzodioxol-4-yl] 9-methyl-7-(6-prop-2-enoyloxyhexoxy)-9H-fluorene-2-carboxylate;[7-[9,9-difluoro-7-(4-prop-2-enoyloxybutoxy)fluorene-2-carbonyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] 9,9-difluoro-7-(4-prop-2-enoyloxybutoxy)fluorene-2-carboxylate;[4-[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxole-4-carbonyl]oxy-3-methylphenyl] 2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxole-4-carboxylate;[4-[4-[[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxol-4-yl]oxycarbonyl]phenoxy]carbonylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxol-4-yl] 4-[2-[4-[4-(4-prop-2-enoyloxybutoxy)cyclohexyl]phenyl]ethyl]benzoate?
[2,2-difluoro-7-[5-fluoro-6-(4-prop-2-enoyloxybutoxy)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]oxy-1,3-benzodioxol-4-yl] 5-fluoro-6-(4-prop-2-enoyloxybutoxy)-1,2,3,4-tetrahydronaphthalene-2-carboxylate;[2,2-difluoro-7-[9-methyl-7-(6-prop-2-enoyloxyhexoxy)-9H-fluorene-2-carbonyl]oxy-1,3-benzodioxol-4-yl] 9-methyl-7-(6-prop-2-enoyloxyhexoxy)-9H-fluorene-2-carboxylate;[7-[9,9-difluoro-7-(4-prop-2-enoyloxybutoxy)fluorene-2-carbonyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] 9,9-difluoro-7-(4-prop-2-enoyloxybutoxy)fluorene-2-carboxylate;[4-[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxole-4-carbonyl]oxy-3-methylphenyl] 2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxole-4-carboxylate;[4-[4-[[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxol-4-yl]oxycarbonyl]phenoxy]carbonylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxol-4-yl] 4-[2-[4-[4-(4-prop-2-enoyloxybutoxy)cyclohexyl]phenyl]ethyl]benzoate has a molecular weight of 5169.06 g/mol, XLogP of 56.64, 126 rotatable bonds, 0 hydrogen bond donors, and 74 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-difluoro-7-[5-fluoro-6-(4-prop-2-enoyloxybutoxy)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]oxy-1,3-benzodioxol-4-yl] 5-fluoro-6-(4-prop-2-enoyloxybutoxy)-1,2,3,4-tetrahydronaphthalene-2-carboxylate;[2,2-difluoro-7-[9-methyl-7-(6-prop-2-enoyloxyhexoxy)-9H-fluorene-2-carbonyl]oxy-1,3-benzodioxol-4-yl] 9-methyl-7-(6-prop-2-enoyloxyhexoxy)-9H-fluorene-2-carboxylate;[7-[9,9-difluoro-7-(4-prop-2-enoyloxybutoxy)fluorene-2-carbonyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl] 9,9-difluoro-7-(4-prop-2-enoyloxybutoxy)fluorene-2-carboxylate;[4-[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxole-4-carbonyl]oxy-3-methylphenyl] 2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxole-4-carboxylate;[4-[4-[[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxol-4-yl]oxycarbonyl]phenoxy]carbonylphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;[2,2-difluoro-7-(6-prop-2-enoyloxyhexoxy)-1,3-benzodioxol-4-yl] 4-[2-[4-[4-(4-prop-2-enoyloxybutoxy)cyclohexyl]phenyl]ethyl]benzoate is sourced from PubChem (CID 157255046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).