[4-acetyloxy-2,3-bis(trifluoromethyl)phenyl] 4-[4-[4-(5-prop-2-enoyloxypentyl)cyclohexyl]phenyl]benzoate;[4-[4-[[7-[4-[4-[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxole-4-carbonyl]oxyphenyl]benzoyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl]oxycarbonyl]phenyl]phenyl] 2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxole-4-carboxylate;4-(5-ethenoxypentoxy)-2,2-difluoro-7-[4-[(E)-prop-1-enyl]cyclohexyl]-1,3-benzodioxole;2-[4-[[4-ethoxy-2,3-bis(trifluoromethyl)phenoxy]methyl]cyclohexyl]ethyl prop-2-enoate;3-[4-[4-[4-[3-[4-ethoxy-2,3-bis(trifluoromethyl)phenoxy]propyl]-3-fluorophenyl]cyclohexyl]butyl]-3-ethyloxetane;[4-ethoxy-2,3-bis(trifluoromethyl)phenyl] 4-[4-[3-(oxiran-2-yl)propyl]cyclohexyl]cyclohexane-1-carboxylate;1-[4-[4-ethoxy-2,3-bis(trifluoromethyl)phenyl]phenyl]prop-2-en-1-one;3-[4-[4-[4-methoxy-2,3-bis(trifluoromethyl)phenyl]phenyl]phenoxy]propyl 2-methylprop-2-enoate;1-[5-[4-[4-(4-propylcyclohexyl)-2,3-bis(trifluoromethyl)phenyl]phenoxy]pentyl]pyrrole-2,5-dione

C282H280F51NO50 — CID 160571991

IUPAC[4-acetyloxy-2,3-bis(trifluoromethyl)phenyl] 4-[4-[4-(5-prop-2-enoyloxypentyl)cyclohexyl]phenyl]benzoate;[4-[4-[[7-[4-[4-[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxole-4-carbonyl]oxyphenyl]benzoyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl]oxycarbonyl]phenyl]phenyl] 2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxole-4-carboxylate;4-(5-ethenoxypentoxy)-2,2-difluoro-7-[4-[(E)-prop-1-enyl]cyclohexyl]-1,3-benzodioxole;2-[4-[[4-ethoxy-2,3-bis(trifluoromethyl)phenoxy]methyl]cyclohexyl]ethyl prop-2-enoate;3-[4-[4-[4-[3-[4-ethoxy-2,3-bis(trifluoromethyl)phenoxy]propyl]-3-fluorophenyl]cyclohexyl]butyl]-3-ethyloxetane;[4-ethoxy-2,3-bis(trifluoromethyl)phenyl] 4-[4-[3-(oxiran-2-yl)propyl]cyclohexyl]cyclohexane-1-carboxylate;1-[4-[4-ethoxy-2,3-bis(trifluoromethyl)phenyl]phenyl]prop-2-en-1-one;3-[4-[4-[4-methoxy-2,3-bis(trifluoromethyl)phenyl]phenyl]phenoxy]propyl 2-methylprop-2-enoate;1-[5-[4-[4-(4-propylcyclohexyl)-2,3-bis(trifluoromethyl)phenyl]phenoxy]pentyl]pyrrole-2,5-dione
SMILESC=C(C)C(=O)OCCCOc1ccc(-c2ccc(-c3ccc(OC)c(C(F)(F)F)c3C(F)(F)F)cc2)cc1.C=CC(=O)OCCC1CCC(COc2ccc(OCC)c(C(F)(F)F)c2C(F)(F)F)CC1.C=CC(=O)OCCCCCC1CCC(c2ccc(-c3ccc(C(=O)Oc4ccc(OC(C)=O)c(C(F)(F)F)c4C(F)(F)F)cc3)cc2)CC1.C=CC(=O)OCCOc1ccc(C(=O)Oc2ccc(-c3ccc(C(=O)Oc4ccc(OC(=O)c5ccc(-c6ccc(OC(=O)c7ccc(OCCOC(=O)C=C)c8c7OC(F)(F)O8)cc6)cc5)c5c4OC(F)(F)O5)cc3)cc2)c2c1OC(F)(F)O2.C=CC(=O)c1ccc(-c2ccc(OCC)c(C(F)(F)F)c2C(F)(F)F)cc1.C=COCCCCCOc1ccc(C2CCC(/C=C/C)CC2)c2c1OC(F)(F)O2.CCCC1CCC(c2ccc(-c3ccc(OCCCCCN4C(=O)C=CC4=O)cc3)c(C(F)(F)F)c2C(F)(F)F)CC1.CCOc1ccc(OC(=O)C2CCC(C3CCC(CCCC4CO4)CC3)CC2)c(C(F)(F)F)c1C(F)(F)F.CCOc1ccc(OCCCc2ccc(C3CCC(CCCCC4(CC)COC4)CC3)cc2F)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C59H36F6O20.C37H36F6O6.C34H43F7O3.C32H35F6NO3.C28H36F6O4.C28H24F6O4.C23H30F2O4.C22H26F6O4.C19H14F6O2/c1-3-45(66)74-29-27-72-41-23-21-39(47-49(41)82-57(60,61)80-47)55(70)76-37-17-13-33(14-18-37)31-5-9-35(10-6-31)53(68)78-43-25-26-44(52-51(43)84-59(64,65)85-52)79-54(69)36-11-7-32(8-12-36)34-15-19-38(20-16-34)77-56(71)40-22-24-42(73-28-30-75-46(67)4-2)50-48(40)81-58(62,63)83-50;1-3-32(45)47-22-6-4-5-7-24-8-10-25(11-9-24)26-12-14-27(15-13-26)28-16-18-29(19-17-28)35(46)49-31-21-20-30(48-23(2)44)33(36(38,39)40)34(31)37(41,42)43;1-3-32(21-42-22-32)18-6-5-8-23-10-12-24(13-11-23)26-15-14-25(27(35)20-26)9-7-19-44-29-17-16-28(43-4-2)30(33(36,37)38)31(29)34(39,40)41;1-2-6-21-7-9-22(10-8-21)25-15-16-26(30(32(36,37)38)29(25)31(33,34)35)23-11-13-24(14-12-23)42-20-5-3-4-19-39-27(40)17-18-28(39)41;1-2-36-22-14-15-23(25(28(32,33)34)24(22)27(29,30)31)38-26(35)20-12-10-19(11-13-20)18-8-6-17(7-9-18)4-3-5-21-16-37-21;1-17(2)26(35)38-16-4-15-37-21-11-9-19(10-12-21)18-5-7-20(8-6-18)22-13-14-23(36-3)25(28(32,33)34)24(22)27(29,30)31;1-3-8-17-9-11-18(12-10-17)19-13-14-20(22-21(19)28-23(24,25)29-22)27-16-7-5-6-15-26-4-2;1-3-18(29)31-12-11-14-5-7-15(8-6-14)13-32-17-10-9-16(30-4-2)19(21(23,24)25)20(17)22(26,27)28;1-3-14(26)12-7-5-11(6-8-12)13-9-10-15(27-4-2)17(19(23,24)25)16(13)18(20,21)22/h3-26H,1-2,27-30H2;3,12-21,24-25H,1,4-11,22H2,2H3;14-17,20,23-24H,3-13,18-19,21-22H2,1-2H3;11-18,21-22H,2-10,19-20H2,1H3;14-15,17-21H,2-13,16H2,1H3;5-14H,1,4,15-16H2,2-3H3;3-4,8,13-14,17-18H,2,5-7,9-12,15-16H2,1H3;3,9-10,14-15H,1,4-8,11-13H2,2H3;3,5-10H,1,4H2,2H3/b;;;;;;8-3+;;
InChIKeyRAQZXSAUZXIPNR-XWIAVIOKSA-N
MW5452.20 g/mol
LogP75.97
Rot. Bonds99

About [4-acetyloxy-2,3-bis(trifluoromethyl)phenyl] 4-[4-[4-(5-prop-2-enoyloxypentyl)cyclohexyl]phenyl]benzoate;[4-[4-[[7-[4-[4-[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxole-4-carbonyl]oxyphenyl]benzoyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl]oxycarbonyl]phenyl]phenyl] 2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxole-4-carboxylate;4-(5-ethenoxypentoxy)-2,2-difluoro-7-[4-[(E)-prop-1-enyl]cyclohexyl]-1,3-benzodioxole;2-[4-[[4-ethoxy-2,3-bis(trifluoromethyl)phenoxy]methyl]cyclohexyl]ethyl prop-2-enoate;3-[4-[4-[4-[3-[4-ethoxy-2,3-bis(trifluoromethyl)phenoxy]propyl]-3-fluorophenyl]cyclohexyl]butyl]-3-ethyloxetane;[4-ethoxy-2,3-bis(trifluoromethyl)phenyl] 4-[4-[3-(oxiran-2-yl)propyl]cyclohexyl]cyclohexane-1-carboxylate;1-[4-[4-ethoxy-2,3-bis(trifluoromethyl)phenyl]phenyl]prop-2-en-1-one;3-[4-[4-[4-methoxy-2,3-bis(trifluoromethyl)phenyl]phenyl]phenoxy]propyl 2-methylprop-2-enoate;1-[5-[4-[4-(4-propylcyclohexyl)-2,3-bis(trifluoromethyl)phenyl]phenoxy]pentyl]pyrrole-2,5-dione

[4-acetyloxy-2,3-bis(trifluoromethyl)phenyl] 4-[4-[4-(5-prop-2-enoyloxypentyl)cyclohexyl]phenyl]benzoate;[4-[4-[[7-[4-[4-[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxole-4-carbonyl]oxyphenyl]benzoyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl]oxycarbonyl]phenyl]phenyl] 2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxole-4-carboxylate;4-(5-ethenoxypentoxy)-2,2-difluoro-7-[4-[(E)-prop-1-enyl]cyclohexyl]-1,3-benzodioxole;2-[4-[[4-ethoxy-2,3-bis(trifluoromethyl)phenoxy]methyl]cyclohexyl]ethyl prop-2-enoate;3-[4-[4-[4-[3-[4-ethoxy-2,3-bis(trifluoromethyl)phenoxy]propyl]-3-fluorophenyl]cyclohexyl]butyl]-3-ethyloxetane;[4-ethoxy-2,3-bis(trifluoromethyl)phenyl] 4-[4-[3-(oxiran-2-yl)propyl]cyclohexyl]cyclohexane-1-carboxylate;1-[4-[4-ethoxy-2,3-bis(trifluoromethyl)phenyl]phenyl]prop-2-en-1-one;3-[4-[4-[4-methoxy-2,3-bis(trifluoromethyl)phenyl]phenyl]phenoxy]propyl 2-methylprop-2-enoate;1-[5-[4-[4-(4-propylcyclohexyl)-2,3-bis(trifluoromethyl)phenyl]phenoxy]pentyl]pyrrole-2,5-dione (PubChem CID 160571991) has the molecular formula C282H280F51NO50 and a molecular weight of 5452.20 g/mol. Its IUPAC name is [4-acetyloxy-2,3-bis(trifluoromethyl)phenyl] 4-[4-[4-(5-prop-2-enoyloxypentyl)cyclohexyl]phenyl]benzoate;[4-[4-[[7-[4-[4-[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxole-4-carbonyl]oxyphenyl]benzoyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl]oxycarbonyl]phenyl]phenyl] 2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxole-4-carboxylate;4-(5-ethenoxypentoxy)-2,2-difluoro-7-[4-[(E)-prop-1-enyl]cyclohexyl]-1,3-benzodioxole;2-[4-[[4-ethoxy-2,3-bis(trifluoromethyl)phenoxy]methyl]cyclohexyl]ethyl prop-2-enoate;3-[4-[4-[4-[3-[4-ethoxy-2,3-bis(trifluoromethyl)phenoxy]propyl]-3-fluorophenyl]cyclohexyl]butyl]-3-ethyloxetane;[4-ethoxy-2,3-bis(trifluoromethyl)phenyl] 4-[4-[3-(oxiran-2-yl)propyl]cyclohexyl]cyclohexane-1-carboxylate;1-[4-[4-ethoxy-2,3-bis(trifluoromethyl)phenyl]phenyl]prop-2-en-1-one;3-[4-[4-[4-methoxy-2,3-bis(trifluoromethyl)phenyl]phenyl]phenoxy]propyl 2-methylprop-2-enoate;1-[5-[4-[4-(4-propylcyclohexyl)-2,3-bis(trifluoromethyl)phenyl]phenoxy]pentyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name[4-acetyloxy-2,3-bis(trifluoromethyl)phenyl] 4-[4-[4-(5-prop-2-enoyloxypentyl)cyclohexyl]phenyl]benzoate;[4-[4-[[7-[4-[4-[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxole-4-carbonyl]oxyphenyl]benzoyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl]oxycarbonyl]phenyl]phenyl] 2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxole-4-carboxylate;4-(5-ethenoxypentoxy)-2,2-difluoro-7-[4-[(E)-prop-1-enyl]cyclohexyl]-1,3-benzodioxole;2-[4-[[4-ethoxy-2,3-bis(trifluoromethyl)phenoxy]methyl]cyclohexyl]ethyl prop-2-enoate;3-[4-[4-[4-[3-[4-ethoxy-2,3-bis(trifluoromethyl)phenoxy]propyl]-3-fluorophenyl]cyclohexyl]butyl]-3-ethyloxetane;[4-ethoxy-2,3-bis(trifluoromethyl)phenyl] 4-[4-[3-(oxiran-2-yl)propyl]cyclohexyl]cyclohexane-1-carboxylate;1-[4-[4-ethoxy-2,3-bis(trifluoromethyl)phenyl]phenyl]prop-2-en-1-one;3-[4-[4-[4-methoxy-2,3-bis(trifluoromethyl)phenyl]phenyl]phenoxy]propyl 2-methylprop-2-enoate;1-[5-[4-[4-(4-propylcyclohexyl)-2,3-bis(trifluoromethyl)phenyl]phenoxy]pentyl]pyrrole-2,5-dione
PubChem CID160571991
Molecular FormulaC282H280F51NO50
Molecular Weight5452.20 g/mol
Exact Mass5448.86
IUPAC Name[4-acetyloxy-2,3-bis(trifluoromethyl)phenyl] 4-[4-[4-(5-prop-2-enoyloxypentyl)cyclohexyl]phenyl]benzoate;[4-[4-[[7-[4-[4-[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxole-4-carbonyl]oxyphenyl]benzoyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl]oxycarbonyl]phenyl]phenyl] 2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxole-4-carboxylate;4-(5-ethenoxypentoxy)-2,2-difluoro-7-[4-[(E)-prop-1-enyl]cyclohexyl]-1,3-benzodioxole;2-[4-[[4-ethoxy-2,3-bis(trifluoromethyl)phenoxy]methyl]cyclohexyl]ethyl prop-2-enoate;3-[4-[4-[4-[3-[4-ethoxy-2,3-bis(trifluoromethyl)phenoxy]propyl]-3-fluorophenyl]cyclohexyl]butyl]-3-ethyloxetane;[4-ethoxy-2,3-bis(trifluoromethyl)phenyl] 4-[4-[3-(oxiran-2-yl)propyl]cyclohexyl]cyclohexane-1-carboxylate;1-[4-[4-ethoxy-2,3-bis(trifluoromethyl)phenyl]phenyl]prop-2-en-1-one;3-[4-[4-[4-methoxy-2,3-bis(trifluoromethyl)phenyl]phenyl]phenoxy]propyl 2-methylprop-2-enoate;1-[5-[4-[4-(4-propylcyclohexyl)-2,3-bis(trifluoromethyl)phenyl]phenoxy]pentyl]pyrrole-2,5-dione
SMILESC=C(C)C(=O)OCCCOc1ccc(-c2ccc(-c3ccc(OC)c(C(F)(F)F)c3C(F)(F)F)cc2)cc1.C=CC(=O)OCCC1CCC(COc2ccc(OCC)c(C(F)(F)F)c2C(F)(F)F)CC1.C=CC(=O)OCCCCCC1CCC(c2ccc(-c3ccc(C(=O)Oc4ccc(OC(C)=O)c(C(F)(F)F)c4C(F)(F)F)cc3)cc2)CC1.C=CC(=O)OCCOc1ccc(C(=O)Oc2ccc(-c3ccc(C(=O)Oc4ccc(OC(=O)c5ccc(-c6ccc(OC(=O)c7ccc(OCCOC(=O)C=C)c8c7OC(F)(F)O8)cc6)cc5)c5c4OC(F)(F)O5)cc3)cc2)c2c1OC(F)(F)O2.C=CC(=O)c1ccc(-c2ccc(OCC)c(C(F)(F)F)c2C(F)(F)F)cc1.C=COCCCCCOc1ccc(C2CCC(/C=C/C)CC2)c2c1OC(F)(F)O2.CCCC1CCC(c2ccc(-c3ccc(OCCCCCN4C(=O)C=CC4=O)cc3)c(C(F)(F)F)c2C(F)(F)F)CC1.CCOc1ccc(OC(=O)C2CCC(C3CCC(CCCC4CO4)CC3)CC2)c(C(F)(F)F)c1C(F)(F)F.CCOc1ccc(OCCCc2ccc(C3CCC(CCCCC4(CC)COC4)CC3)cc2F)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C59H36F6O20.C37H36F6O6.C34H43F7O3.C32H35F6NO3.C28H36F6O4.C28H24F6O4.C23H30F2O4.C22H26F6O4.C19H14F6O2/c1-3-45(66)74-29-27-72-41-23-21-39(47-49(41)82-57(60,61)80-47)55(70)76-37-17-13-33(14-18-37)31-5-9-35(10-6-31)53(68)78-43-25-26-44(52-51(43)84-59(64,65)85-52)79-54(69)36-11-7-32(8-12-36)34-15-19-38(20-16-34)77-56(71)40-22-24-42(73-28-30-75-46(67)4-2)50-48(40)81-58(62,63)83-50;1-3-32(45)47-22-6-4-5-7-24-8-10-25(11-9-24)26-12-14-27(15-13-26)28-16-18-29(19-17-28)35(46)49-31-21-20-30(48-23(2)44)33(36(38,39)40)34(31)37(41,42)43;1-3-32(21-42-22-32)18-6-5-8-23-10-12-24(13-11-23)26-15-14-25(27(35)20-26)9-7-19-44-29-17-16-28(43-4-2)30(33(36,37)38)31(29)34(39,40)41;1-2-6-21-7-9-22(10-8-21)25-15-16-26(30(32(36,37)38)29(25)31(33,34)35)23-11-13-24(14-12-23)42-20-5-3-4-19-39-27(40)17-18-28(39)41;1-2-36-22-14-15-23(25(28(32,33)34)24(22)27(29,30)31)38-26(35)20-12-10-19(11-13-20)18-8-6-17(7-9-18)4-3-5-21-16-37-21;1-17(2)26(35)38-16-4-15-37-21-11-9-19(10-12-21)18-5-7-20(8-6-18)22-13-14-23(36-3)25(28(32,33)34)24(22)27(29,30)31;1-3-8-17-9-11-18(12-10-17)19-13-14-20(22-21(19)28-23(24,25)29-22)27-16-7-5-6-15-26-4-2;1-3-18(29)31-12-11-14-5-7-15(8-6-14)13-32-17-10-9-16(30-4-2)19(21(23,24)25)20(17)22(26,27)28;1-3-14(26)12-7-5-11(6-8-12)13-9-10-15(27-4-2)17(19(23,24)25)16(13)18(20,21)22/h3-26H,1-2,27-30H2;3,12-21,24-25H,1,4-11,22H2,2H3;14-17,20,23-24H,3-13,18-19,21-22H2,1-2H3;11-18,21-22H,2-10,19-20H2,1H3;14-15,17-21H,2-13,16H2,1H3;5-14H,1,4,15-16H2,2-3H3;3-4,8,13-14,17-18H,2,5-7,9-12,15-16H2,1H3;3,9-10,14-15H,1,4-8,11-13H2,2H3;3,5-10H,1,4H2,2H3/b;;;;;;8-3+;;
InChIKeyRAQZXSAUZXIPNR-XWIAVIOKSA-N
XLogP75.97
TPSA585.64 Ų
H-Bond Donors
H-Bond Acceptors50
Rotatable Bonds99
Heavy Atoms384
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005452.20
LogP ≤ 575.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1050

Analyze [4-acetyloxy-2,3-bis(trifluoromethyl)phenyl] 4-[4-[4-(5-prop-2-enoyloxypentyl)cyclohexyl]phenyl]benzoate;[4-[4-[[7-[4-[4-[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxole-4-carbonyl]oxyphenyl]benzoyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl]oxycarbonyl]phenyl]phenyl] 2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxole-4-carboxylate;4-(5-ethenoxypentoxy)-2,2-difluoro-7-[4-[(E)-prop-1-enyl]cyclohexyl]-1,3-benzodioxole;2-[4-[[4-ethoxy-2,3-bis(trifluoromethyl)phenoxy]methyl]cyclohexyl]ethyl prop-2-enoate;3-[4-[4-[4-[3-[4-ethoxy-2,3-bis(trifluoromethyl)phenoxy]propyl]-3-fluorophenyl]cyclohexyl]butyl]-3-ethyloxetane;[4-ethoxy-2,3-bis(trifluoromethyl)phenyl] 4-[4-[3-(oxiran-2-yl)propyl]cyclohexyl]cyclohexane-1-carboxylate;1-[4-[4-ethoxy-2,3-bis(trifluoromethyl)phenyl]phenyl]prop-2-en-1-one;3-[4-[4-[4-methoxy-2,3-bis(trifluoromethyl)phenyl]phenyl]phenoxy]propyl 2-methylprop-2-enoate;1-[5-[4-[4-(4-propylcyclohexyl)-2,3-bis(trifluoromethyl)phenyl]phenoxy]pentyl]pyrrole-2,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-acetyloxy-2,3-bis(trifluoromethyl)phenyl] 4-[4-[4-(5-prop-2-enoyloxypentyl)cyclohexyl]phenyl]benzoate;[4-[4-[[7-[4-[4-[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxole-4-carbonyl]oxyphenyl]benzoyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl]oxycarbonyl]phenyl]phenyl] 2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxole-4-carboxylate;4-(5-ethenoxypentoxy)-2,2-difluoro-7-[4-[(E)-prop-1-enyl]cyclohexyl]-1,3-benzodioxole;2-[4-[[4-ethoxy-2,3-bis(trifluoromethyl)phenoxy]methyl]cyclohexyl]ethyl prop-2-enoate;3-[4-[4-[4-[3-[4-ethoxy-2,3-bis(trifluoromethyl)phenoxy]propyl]-3-fluorophenyl]cyclohexyl]butyl]-3-ethyloxetane;[4-ethoxy-2,3-bis(trifluoromethyl)phenyl] 4-[4-[3-(oxiran-2-yl)propyl]cyclohexyl]cyclohexane-1-carboxylate;1-[4-[4-ethoxy-2,3-bis(trifluoromethyl)phenyl]phenyl]prop-2-en-1-one;3-[4-[4-[4-methoxy-2,3-bis(trifluoromethyl)phenyl]phenyl]phenoxy]propyl 2-methylprop-2-enoate;1-[5-[4-[4-(4-propylcyclohexyl)-2,3-bis(trifluoromethyl)phenyl]phenoxy]pentyl]pyrrole-2,5-dione?
The IUPAC name of [4-acetyloxy-2,3-bis(trifluoromethyl)phenyl] 4-[4-[4-(5-prop-2-enoyloxypentyl)cyclohexyl]phenyl]benzoate;[4-[4-[[7-[4-[4-[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxole-4-carbonyl]oxyphenyl]benzoyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl]oxycarbonyl]phenyl]phenyl] 2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxole-4-carboxylate;4-(5-ethenoxypentoxy)-2,2-difluoro-7-[4-[(E)-prop-1-enyl]cyclohexyl]-1,3-benzodioxole;2-[4-[[4-ethoxy-2,3-bis(trifluoromethyl)phenoxy]methyl]cyclohexyl]ethyl prop-2-enoate;3-[4-[4-[4-[3-[4-ethoxy-2,3-bis(trifluoromethyl)phenoxy]propyl]-3-fluorophenyl]cyclohexyl]butyl]-3-ethyloxetane;[4-ethoxy-2,3-bis(trifluoromethyl)phenyl] 4-[4-[3-(oxiran-2-yl)propyl]cyclohexyl]cyclohexane-1-carboxylate;1-[4-[4-ethoxy-2,3-bis(trifluoromethyl)phenyl]phenyl]prop-2-en-1-one;3-[4-[4-[4-methoxy-2,3-bis(trifluoromethyl)phenyl]phenyl]phenoxy]propyl 2-methylprop-2-enoate;1-[5-[4-[4-(4-propylcyclohexyl)-2,3-bis(trifluoromethyl)phenyl]phenoxy]pentyl]pyrrole-2,5-dione (CID 160571991) is [4-acetyloxy-2,3-bis(trifluoromethyl)phenyl] 4-[4-[4-(5-prop-2-enoyloxypentyl)cyclohexyl]phenyl]benzoate;[4-[4-[[7-[4-[4-[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxole-4-carbonyl]oxyphenyl]benzoyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl]oxycarbonyl]phenyl]phenyl] 2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxole-4-carboxylate;4-(5-ethenoxypentoxy)-2,2-difluoro-7-[4-[(E)-prop-1-enyl]cyclohexyl]-1,3-benzodioxole;2-[4-[[4-ethoxy-2,3-bis(trifluoromethyl)phenoxy]methyl]cyclohexyl]ethyl prop-2-enoate;3-[4-[4-[4-[3-[4-ethoxy-2,3-bis(trifluoromethyl)phenoxy]propyl]-3-fluorophenyl]cyclohexyl]butyl]-3-ethyloxetane;[4-ethoxy-2,3-bis(trifluoromethyl)phenyl] 4-[4-[3-(oxiran-2-yl)propyl]cyclohexyl]cyclohexane-1-carboxylate;1-[4-[4-ethoxy-2,3-bis(trifluoromethyl)phenyl]phenyl]prop-2-en-1-one;3-[4-[4-[4-methoxy-2,3-bis(trifluoromethyl)phenyl]phenyl]phenoxy]propyl 2-methylprop-2-enoate;1-[5-[4-[4-(4-propylcyclohexyl)-2,3-bis(trifluoromethyl)phenyl]phenoxy]pentyl]pyrrole-2,5-dione.
What is the SMILES notation for [4-acetyloxy-2,3-bis(trifluoromethyl)phenyl] 4-[4-[4-(5-prop-2-enoyloxypentyl)cyclohexyl]phenyl]benzoate;[4-[4-[[7-[4-[4-[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxole-4-carbonyl]oxyphenyl]benzoyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl]oxycarbonyl]phenyl]phenyl] 2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxole-4-carboxylate;4-(5-ethenoxypentoxy)-2,2-difluoro-7-[4-[(E)-prop-1-enyl]cyclohexyl]-1,3-benzodioxole;2-[4-[[4-ethoxy-2,3-bis(trifluoromethyl)phenoxy]methyl]cyclohexyl]ethyl prop-2-enoate;3-[4-[4-[4-[3-[4-ethoxy-2,3-bis(trifluoromethyl)phenoxy]propyl]-3-fluorophenyl]cyclohexyl]butyl]-3-ethyloxetane;[4-ethoxy-2,3-bis(trifluoromethyl)phenyl] 4-[4-[3-(oxiran-2-yl)propyl]cyclohexyl]cyclohexane-1-carboxylate;1-[4-[4-ethoxy-2,3-bis(trifluoromethyl)phenyl]phenyl]prop-2-en-1-one;3-[4-[4-[4-methoxy-2,3-bis(trifluoromethyl)phenyl]phenyl]phenoxy]propyl 2-methylprop-2-enoate;1-[5-[4-[4-(4-propylcyclohexyl)-2,3-bis(trifluoromethyl)phenyl]phenoxy]pentyl]pyrrole-2,5-dione?
The canonical SMILES for [4-acetyloxy-2,3-bis(trifluoromethyl)phenyl] 4-[4-[4-(5-prop-2-enoyloxypentyl)cyclohexyl]phenyl]benzoate;[4-[4-[[7-[4-[4-[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxole-4-carbonyl]oxyphenyl]benzoyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl]oxycarbonyl]phenyl]phenyl] 2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxole-4-carboxylate;4-(5-ethenoxypentoxy)-2,2-difluoro-7-[4-[(E)-prop-1-enyl]cyclohexyl]-1,3-benzodioxole;2-[4-[[4-ethoxy-2,3-bis(trifluoromethyl)phenoxy]methyl]cyclohexyl]ethyl prop-2-enoate;3-[4-[4-[4-[3-[4-ethoxy-2,3-bis(trifluoromethyl)phenoxy]propyl]-3-fluorophenyl]cyclohexyl]butyl]-3-ethyloxetane;[4-ethoxy-2,3-bis(trifluoromethyl)phenyl] 4-[4-[3-(oxiran-2-yl)propyl]cyclohexyl]cyclohexane-1-carboxylate;1-[4-[4-ethoxy-2,3-bis(trifluoromethyl)phenyl]phenyl]prop-2-en-1-one;3-[4-[4-[4-methoxy-2,3-bis(trifluoromethyl)phenyl]phenyl]phenoxy]propyl 2-methylprop-2-enoate;1-[5-[4-[4-(4-propylcyclohexyl)-2,3-bis(trifluoromethyl)phenyl]phenoxy]pentyl]pyrrole-2,5-dione is C=C(C)C(=O)OCCCOc1ccc(-c2ccc(-c3ccc(OC)c(C(F)(F)F)c3C(F)(F)F)cc2)cc1.C=CC(=O)OCCC1CCC(COc2ccc(OCC)c(C(F)(F)F)c2C(F)(F)F)CC1.C=CC(=O)OCCCCCC1CCC(c2ccc(-c3ccc(C(=O)Oc4ccc(OC(C)=O)c(C(F)(F)F)c4C(F)(F)F)cc3)cc2)CC1.C=CC(=O)OCCOc1ccc(C(=O)Oc2ccc(-c3ccc(C(=O)Oc4ccc(OC(=O)c5ccc(-c6ccc(OC(=O)c7ccc(OCCOC(=O)C=C)c8c7OC(F)(F)O8)cc6)cc5)c5c4OC(F)(F)O5)cc3)cc2)c2c1OC(F)(F)O2.C=CC(=O)c1ccc(-c2ccc(OCC)c(C(F)(F)F)c2C(F)(F)F)cc1.C=COCCCCCOc1ccc(C2CCC(/C=C/C)CC2)c2c1OC(F)(F)O2.CCCC1CCC(c2ccc(-c3ccc(OCCCCCN4C(=O)C=CC4=O)cc3)c(C(F)(F)F)c2C(F)(F)F)CC1.CCOc1ccc(OC(=O)C2CCC(C3CCC(CCCC4CO4)CC3)CC2)c(C(F)(F)F)c1C(F)(F)F.CCOc1ccc(OCCCc2ccc(C3CCC(CCCCC4(CC)COC4)CC3)cc2F)c(C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of [4-acetyloxy-2,3-bis(trifluoromethyl)phenyl] 4-[4-[4-(5-prop-2-enoyloxypentyl)cyclohexyl]phenyl]benzoate;[4-[4-[[7-[4-[4-[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxole-4-carbonyl]oxyphenyl]benzoyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl]oxycarbonyl]phenyl]phenyl] 2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxole-4-carboxylate;4-(5-ethenoxypentoxy)-2,2-difluoro-7-[4-[(E)-prop-1-enyl]cyclohexyl]-1,3-benzodioxole;2-[4-[[4-ethoxy-2,3-bis(trifluoromethyl)phenoxy]methyl]cyclohexyl]ethyl prop-2-enoate;3-[4-[4-[4-[3-[4-ethoxy-2,3-bis(trifluoromethyl)phenoxy]propyl]-3-fluorophenyl]cyclohexyl]butyl]-3-ethyloxetane;[4-ethoxy-2,3-bis(trifluoromethyl)phenyl] 4-[4-[3-(oxiran-2-yl)propyl]cyclohexyl]cyclohexane-1-carboxylate;1-[4-[4-ethoxy-2,3-bis(trifluoromethyl)phenyl]phenyl]prop-2-en-1-one;3-[4-[4-[4-methoxy-2,3-bis(trifluoromethyl)phenyl]phenyl]phenoxy]propyl 2-methylprop-2-enoate;1-[5-[4-[4-(4-propylcyclohexyl)-2,3-bis(trifluoromethyl)phenyl]phenoxy]pentyl]pyrrole-2,5-dione?
The InChIKey is RAQZXSAUZXIPNR-XWIAVIOKSA-N. The full InChI is InChI=1S/C59H36F6O20.C37H36F6O6.C34H43F7O3.C32H35F6NO3.C28H36F6O4.C28H24F6O4.C23H30F2O4.C22H26F6O4.C19H14F6O2/c1-3-45(66)74-29-27-72-41-23-21-39(47-49(41)82-57(60,61)80-47)55(70)76-37-17-13-33(14-18-37)31-5-9-35(10-6-31)53(68)78-43-25-26-44(52-51(43)84-59(64,65)85-52)79-54(69)36-11-7-32(8-12-36)34-15-19-38(20-16-34)77-56(71)40-22-24-42(73-28-30-75-46(67)4-2)50-48(40)81-58(62,63)83-50;1-3-32(45)47-22-6-4-5-7-24-8-10-25(11-9-24)26-12-14-27(15-13-26)28-16-18-29(19-17-28)35(46)49-31-21-20-30(48-23(2)44)33(36(38,39)40)34(31)37(41,42)43;1-3-32(21-42-22-32)18-6-5-8-23-10-12-24(13-11-23)26-15-14-25(27(35)20-26)9-7-19-44-29-17-16-28(43-4-2)30(33(36,37)38)31(29)34(39,40)41;1-2-6-21-7-9-22(10-8-21)25-15-16-26(30(32(36,37)38)29(25)31(33,34)35)23-11-13-24(14-12-23)42-20-5-3-4-19-39-27(40)17-18-28(39)41;1-2-36-22-14-15-23(25(28(32,33)34)24(22)27(29,30)31)38-26(35)20-12-10-19(11-13-20)18-8-6-17(7-9-18)4-3-5-21-16-37-21;1-17(2)26(35)38-16-4-15-37-21-11-9-19(10-12-21)18-5-7-20(8-6-18)22-13-14-23(36-3)25(28(32,33)34)24(22)27(29,30)31;1-3-8-17-9-11-18(12-10-17)19-13-14-20(22-21(19)28-23(24,25)29-22)27-16-7-5-6-15-26-4-2;1-3-18(29)31-12-11-14-5-7-15(8-6-14)13-32-17-10-9-16(30-4-2)19(21(23,24)25)20(17)22(26,27)28;1-3-14(26)12-7-5-11(6-8-12)13-9-10-15(27-4-2)17(19(23,24)25)16(13)18(20,21)22/h3-26H,1-2,27-30H2;3,12-21,24-25H,1,4-11,22H2,2H3;14-17,20,23-24H,3-13,18-19,21-22H2,1-2H3;11-18,21-22H,2-10,19-20H2,1H3;14-15,17-21H,2-13,16H2,1H3;5-14H,1,4,15-16H2,2-3H3;3-4,8,13-14,17-18H,2,5-7,9-12,15-16H2,1H3;3,9-10,14-15H,1,4-8,11-13H2,2H3;3,5-10H,1,4H2,2H3/b;;;;;;8-3+;;.
What are the key properties of [4-acetyloxy-2,3-bis(trifluoromethyl)phenyl] 4-[4-[4-(5-prop-2-enoyloxypentyl)cyclohexyl]phenyl]benzoate;[4-[4-[[7-[4-[4-[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxole-4-carbonyl]oxyphenyl]benzoyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl]oxycarbonyl]phenyl]phenyl] 2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxole-4-carboxylate;4-(5-ethenoxypentoxy)-2,2-difluoro-7-[4-[(E)-prop-1-enyl]cyclohexyl]-1,3-benzodioxole;2-[4-[[4-ethoxy-2,3-bis(trifluoromethyl)phenoxy]methyl]cyclohexyl]ethyl prop-2-enoate;3-[4-[4-[4-[3-[4-ethoxy-2,3-bis(trifluoromethyl)phenoxy]propyl]-3-fluorophenyl]cyclohexyl]butyl]-3-ethyloxetane;[4-ethoxy-2,3-bis(trifluoromethyl)phenyl] 4-[4-[3-(oxiran-2-yl)propyl]cyclohexyl]cyclohexane-1-carboxylate;1-[4-[4-ethoxy-2,3-bis(trifluoromethyl)phenyl]phenyl]prop-2-en-1-one;3-[4-[4-[4-methoxy-2,3-bis(trifluoromethyl)phenyl]phenyl]phenoxy]propyl 2-methylprop-2-enoate;1-[5-[4-[4-(4-propylcyclohexyl)-2,3-bis(trifluoromethyl)phenyl]phenoxy]pentyl]pyrrole-2,5-dione?
[4-acetyloxy-2,3-bis(trifluoromethyl)phenyl] 4-[4-[4-(5-prop-2-enoyloxypentyl)cyclohexyl]phenyl]benzoate;[4-[4-[[7-[4-[4-[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxole-4-carbonyl]oxyphenyl]benzoyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl]oxycarbonyl]phenyl]phenyl] 2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxole-4-carboxylate;4-(5-ethenoxypentoxy)-2,2-difluoro-7-[4-[(E)-prop-1-enyl]cyclohexyl]-1,3-benzodioxole;2-[4-[[4-ethoxy-2,3-bis(trifluoromethyl)phenoxy]methyl]cyclohexyl]ethyl prop-2-enoate;3-[4-[4-[4-[3-[4-ethoxy-2,3-bis(trifluoromethyl)phenoxy]propyl]-3-fluorophenyl]cyclohexyl]butyl]-3-ethyloxetane;[4-ethoxy-2,3-bis(trifluoromethyl)phenyl] 4-[4-[3-(oxiran-2-yl)propyl]cyclohexyl]cyclohexane-1-carboxylate;1-[4-[4-ethoxy-2,3-bis(trifluoromethyl)phenyl]phenyl]prop-2-en-1-one;3-[4-[4-[4-methoxy-2,3-bis(trifluoromethyl)phenyl]phenyl]phenoxy]propyl 2-methylprop-2-enoate;1-[5-[4-[4-(4-propylcyclohexyl)-2,3-bis(trifluoromethyl)phenyl]phenoxy]pentyl]pyrrole-2,5-dione has a molecular weight of 5452.20 g/mol, XLogP of 75.97, 99 rotatable bonds, 0 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for [4-acetyloxy-2,3-bis(trifluoromethyl)phenyl] 4-[4-[4-(5-prop-2-enoyloxypentyl)cyclohexyl]phenyl]benzoate;[4-[4-[[7-[4-[4-[2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxole-4-carbonyl]oxyphenyl]benzoyl]oxy-2,2-difluoro-1,3-benzodioxol-4-yl]oxycarbonyl]phenyl]phenyl] 2,2-difluoro-7-(2-prop-2-enoyloxyethoxy)-1,3-benzodioxole-4-carboxylate;4-(5-ethenoxypentoxy)-2,2-difluoro-7-[4-[(E)-prop-1-enyl]cyclohexyl]-1,3-benzodioxole;2-[4-[[4-ethoxy-2,3-bis(trifluoromethyl)phenoxy]methyl]cyclohexyl]ethyl prop-2-enoate;3-[4-[4-[4-[3-[4-ethoxy-2,3-bis(trifluoromethyl)phenoxy]propyl]-3-fluorophenyl]cyclohexyl]butyl]-3-ethyloxetane;[4-ethoxy-2,3-bis(trifluoromethyl)phenyl] 4-[4-[3-(oxiran-2-yl)propyl]cyclohexyl]cyclohexane-1-carboxylate;1-[4-[4-ethoxy-2,3-bis(trifluoromethyl)phenyl]phenyl]prop-2-en-1-one;3-[4-[4-[4-methoxy-2,3-bis(trifluoromethyl)phenyl]phenyl]phenoxy]propyl 2-methylprop-2-enoate;1-[5-[4-[4-(4-propylcyclohexyl)-2,3-bis(trifluoromethyl)phenyl]phenoxy]pentyl]pyrrole-2,5-dione is sourced from PubChem (CID 160571991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).