4-[[7-[4-[difluoro-[4-(4-prop-2-enoyloxybutoxy)-2,3-bis(trifluoromethyl)phenoxy]methyl]-3,5-difluorophenyl]-9H-fluoren-2-yl]oxy]butyl prop-2-enoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(4-buta-1,3-dien-2-yloxybutoxy)benzoate;[4-(4-prop-2-enoyloxybutoxy)cyclohexyl] 4-[4-(4-prop-2-enoyloxybutoxy)cyclohexanecarbonyl]oxy-2,3-bis(trifluoromethyl)benzoate;[4-(4-prop-2-enoyloxybutoxy)phenyl] 4-[2,3-difluoro-4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;6-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)-2,3-bis(trifluoromethyl)phenyl]phenyl]phenoxy]hexyl prop-2-enoate;6-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]-2,3-bis(trifluoromethyl)phenyl]phenoxy]hexyl prop-2-enoate

C267H262F48O58 — CID 158588923

IUPAC4-[[7-[4-[difluoro-[4-(4-prop-2-enoyloxybutoxy)-2,3-bis(trifluoromethyl)phenoxy]methyl]-3,5-difluorophenyl]-9H-fluoren-2-yl]oxy]butyl prop-2-enoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(4-buta-1,3-dien-2-yloxybutoxy)benzoate;[4-(4-prop-2-enoyloxybutoxy)cyclohexyl] 4-[4-(4-prop-2-enoyloxybutoxy)cyclohexanecarbonyl]oxy-2,3-bis(trifluoromethyl)benzoate;[4-(4-prop-2-enoyloxybutoxy)phenyl] 4-[2,3-difluoro-4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;6-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)-2,3-bis(trifluoromethyl)phenyl]phenyl]phenoxy]hexyl prop-2-enoate;6-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]-2,3-bis(trifluoromethyl)phenyl]phenoxy]hexyl prop-2-enoate
SMILESC=CC(=C)OCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCOC(=O)C=C)cc3)c(C(F)(F)F)c2C(F)(F)F)cc1.C=CC(=O)OCCCCCCOc1ccc(-c2ccc(-c3ccc(OCCCCCCOC(=O)C=C)c(C(F)(F)F)c3C(F)(F)F)cc2)cc1.C=CC(=O)OCCCCCCOc1ccc(-c2ccc(-c3ccc(OCCCCCCOC(=O)C=C)cc3)c(C(F)(F)F)c2C(F)(F)F)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3)c(C(F)(F)F)c2C(F)(F)F)cc1.C=CC(=O)OCCCCOC1CCC(OC(=O)c2ccc(OC(=O)C3CCC(OCCCCOC(=O)C=C)CC3)c(C(F)(F)F)c2C(F)(F)F)CC1.C=CC(=O)OCCCCOc1ccc(OC(=O)c2ccc(OC(=O)c3ccc(OCCCCOC(=O)C=C)c(F)c3F)c(C(F)(F)F)c2C(F)(F)F)cc1.C=CC(=O)OCCCCOc1ccc2c(c1)Cc1cc(-c3cc(F)c(C(F)(F)Oc4ccc(OCCCCOC(=O)C=C)c(C(F)(F)F)c4C(F)(F)F)c(F)c3)ccc1-2
InChIInChI=1S/C42H34F10O7.C40H40F6O10.2C38H40F6O6.C37H34F6O9.C36H30F8O10.C36H44F6O10/c1-3-35(53)57-17-7-5-15-55-28-10-12-30-27(21-28)20-26-19-24(9-11-29(26)30)25-22-31(43)37(32(44)23-25)42(51,52)59-34-14-13-33(56-16-6-8-18-58-36(54)4-2)38(40(45,46)47)39(34)41(48,49)50;1-3-33(47)53-25-11-7-5-9-23-51-29-17-13-27(14-18-29)37(49)55-31-21-22-32(36(40(44,45)46)35(31)39(41,42)43)56-38(50)28-15-19-30(20-16-28)52-24-10-6-8-12-26-54-34(48)4-2;1-3-33(45)49-25-11-7-5-9-23-47-29-17-13-27(14-18-29)31-21-22-32(36(38(42,43)44)35(31)37(39,40)41)28-15-19-30(20-16-28)48-24-10-6-8-12-26-50-34(46)4-2;1-3-33(45)49-25-11-7-5-9-23-47-30-19-17-28(18-20-30)27-13-15-29(16-14-27)31-21-22-32(36(38(42,43)44)35(31)37(39,40)41)48-24-10-6-8-12-26-50-34(46)4-2;1-4-24(3)47-20-6-7-21-48-27-14-10-25(11-15-27)34(45)51-29-18-19-30(33(37(41,42)43)32(29)36(38,39)40)52-35(46)26-12-16-28(17-13-26)49-22-8-9-23-50-31(44)5-2;1-3-27(45)51-19-7-5-17-49-21-9-11-22(12-10-21)53-33(47)23-13-15-25(30(36(42,43)44)29(23)35(39,40)41)54-34(48)24-14-16-26(32(38)31(24)37)50-18-6-8-20-52-28(46)4-2;1-3-29(43)49-21-7-5-19-47-24-11-9-23(10-12-24)33(45)52-28-18-17-27(31(35(37,38)39)32(28)36(40,41)42)34(46)51-26-15-13-25(14-16-26)48-20-6-8-22-50-30(44)4-2/h3-4,9-14,19,21-23H,1-2,5-8,15-18,20H2;3-4,13-22H,1-2,5-12,23-26H2;2*3-4,13-22H,1-2,5-12,23-26H2;4-5,10-19H,1-3,6-9,20-23H2;3-4,9-16H,1-2,5-8,17-20H2;3-4,17-18,23-26H,1-2,5-16,19-22H2
InChIKeyHUEPQBYHTZCAPC-UHFFFAOYSA-N
MW5310.88 g/mol
LogP66.29
Rot. Bonds135

About 4-[[7-[4-[difluoro-[4-(4-prop-2-enoyloxybutoxy)-2,3-bis(trifluoromethyl)phenoxy]methyl]-3,5-difluorophenyl]-9H-fluoren-2-yl]oxy]butyl prop-2-enoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(4-buta-1,3-dien-2-yloxybutoxy)benzoate;[4-(4-prop-2-enoyloxybutoxy)cyclohexyl] 4-[4-(4-prop-2-enoyloxybutoxy)cyclohexanecarbonyl]oxy-2,3-bis(trifluoromethyl)benzoate;[4-(4-prop-2-enoyloxybutoxy)phenyl] 4-[2,3-difluoro-4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;6-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)-2,3-bis(trifluoromethyl)phenyl]phenyl]phenoxy]hexyl prop-2-enoate;6-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]-2,3-bis(trifluoromethyl)phenyl]phenoxy]hexyl prop-2-enoate

4-[[7-[4-[difluoro-[4-(4-prop-2-enoyloxybutoxy)-2,3-bis(trifluoromethyl)phenoxy]methyl]-3,5-difluorophenyl]-9H-fluoren-2-yl]oxy]butyl prop-2-enoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(4-buta-1,3-dien-2-yloxybutoxy)benzoate;[4-(4-prop-2-enoyloxybutoxy)cyclohexyl] 4-[4-(4-prop-2-enoyloxybutoxy)cyclohexanecarbonyl]oxy-2,3-bis(trifluoromethyl)benzoate;[4-(4-prop-2-enoyloxybutoxy)phenyl] 4-[2,3-difluoro-4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;6-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)-2,3-bis(trifluoromethyl)phenyl]phenyl]phenoxy]hexyl prop-2-enoate;6-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]-2,3-bis(trifluoromethyl)phenyl]phenoxy]hexyl prop-2-enoate (PubChem CID 158588923) has the molecular formula C267H262F48O58 and a molecular weight of 5310.88 g/mol. Its IUPAC name is 4-[[7-[4-[difluoro-[4-(4-prop-2-enoyloxybutoxy)-2,3-bis(trifluoromethyl)phenoxy]methyl]-3,5-difluorophenyl]-9H-fluoren-2-yl]oxy]butyl prop-2-enoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(4-buta-1,3-dien-2-yloxybutoxy)benzoate;[4-(4-prop-2-enoyloxybutoxy)cyclohexyl] 4-[4-(4-prop-2-enoyloxybutoxy)cyclohexanecarbonyl]oxy-2,3-bis(trifluoromethyl)benzoate;[4-(4-prop-2-enoyloxybutoxy)phenyl] 4-[2,3-difluoro-4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;6-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)-2,3-bis(trifluoromethyl)phenyl]phenyl]phenoxy]hexyl prop-2-enoate;6-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]-2,3-bis(trifluoromethyl)phenyl]phenoxy]hexyl prop-2-enoate.

Molecular Properties

Compound Name4-[[7-[4-[difluoro-[4-(4-prop-2-enoyloxybutoxy)-2,3-bis(trifluoromethyl)phenoxy]methyl]-3,5-difluorophenyl]-9H-fluoren-2-yl]oxy]butyl prop-2-enoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(4-buta-1,3-dien-2-yloxybutoxy)benzoate;[4-(4-prop-2-enoyloxybutoxy)cyclohexyl] 4-[4-(4-prop-2-enoyloxybutoxy)cyclohexanecarbonyl]oxy-2,3-bis(trifluoromethyl)benzoate;[4-(4-prop-2-enoyloxybutoxy)phenyl] 4-[2,3-difluoro-4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;6-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)-2,3-bis(trifluoromethyl)phenyl]phenyl]phenoxy]hexyl prop-2-enoate;6-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]-2,3-bis(trifluoromethyl)phenyl]phenoxy]hexyl prop-2-enoate
PubChem CID158588923
Molecular FormulaC267H262F48O58
Molecular Weight5310.88 g/mol
Exact Mass5307.68
IUPAC Name4-[[7-[4-[difluoro-[4-(4-prop-2-enoyloxybutoxy)-2,3-bis(trifluoromethyl)phenoxy]methyl]-3,5-difluorophenyl]-9H-fluoren-2-yl]oxy]butyl prop-2-enoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(4-buta-1,3-dien-2-yloxybutoxy)benzoate;[4-(4-prop-2-enoyloxybutoxy)cyclohexyl] 4-[4-(4-prop-2-enoyloxybutoxy)cyclohexanecarbonyl]oxy-2,3-bis(trifluoromethyl)benzoate;[4-(4-prop-2-enoyloxybutoxy)phenyl] 4-[2,3-difluoro-4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;6-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)-2,3-bis(trifluoromethyl)phenyl]phenyl]phenoxy]hexyl prop-2-enoate;6-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]-2,3-bis(trifluoromethyl)phenyl]phenoxy]hexyl prop-2-enoate
SMILESC=CC(=C)OCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCOC(=O)C=C)cc3)c(C(F)(F)F)c2C(F)(F)F)cc1.C=CC(=O)OCCCCCCOc1ccc(-c2ccc(-c3ccc(OCCCCCCOC(=O)C=C)c(C(F)(F)F)c3C(F)(F)F)cc2)cc1.C=CC(=O)OCCCCCCOc1ccc(-c2ccc(-c3ccc(OCCCCCCOC(=O)C=C)cc3)c(C(F)(F)F)c2C(F)(F)F)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3)c(C(F)(F)F)c2C(F)(F)F)cc1.C=CC(=O)OCCCCOC1CCC(OC(=O)c2ccc(OC(=O)C3CCC(OCCCCOC(=O)C=C)CC3)c(C(F)(F)F)c2C(F)(F)F)CC1.C=CC(=O)OCCCCOc1ccc(OC(=O)c2ccc(OC(=O)c3ccc(OCCCCOC(=O)C=C)c(F)c3F)c(C(F)(F)F)c2C(F)(F)F)cc1.C=CC(=O)OCCCCOc1ccc2c(c1)Cc1cc(-c3cc(F)c(C(F)(F)Oc4ccc(OCCCCOC(=O)C=C)c(C(F)(F)F)c4C(F)(F)F)c(F)c3)ccc1-2
InChIInChI=1S/C42H34F10O7.C40H40F6O10.2C38H40F6O6.C37H34F6O9.C36H30F8O10.C36H44F6O10/c1-3-35(53)57-17-7-5-15-55-28-10-12-30-27(21-28)20-26-19-24(9-11-29(26)30)25-22-31(43)37(32(44)23-25)42(51,52)59-34-14-13-33(56-16-6-8-18-58-36(54)4-2)38(40(45,46)47)39(34)41(48,49)50;1-3-33(47)53-25-11-7-5-9-23-51-29-17-13-27(14-18-29)37(49)55-31-21-22-32(36(40(44,45)46)35(31)39(41,42)43)56-38(50)28-15-19-30(20-16-28)52-24-10-6-8-12-26-54-34(48)4-2;1-3-33(45)49-25-11-7-5-9-23-47-29-17-13-27(14-18-29)31-21-22-32(36(38(42,43)44)35(31)37(39,40)41)28-15-19-30(20-16-28)48-24-10-6-8-12-26-50-34(46)4-2;1-3-33(45)49-25-11-7-5-9-23-47-30-19-17-28(18-20-30)27-13-15-29(16-14-27)31-21-22-32(36(38(42,43)44)35(31)37(39,40)41)48-24-10-6-8-12-26-50-34(46)4-2;1-4-24(3)47-20-6-7-21-48-27-14-10-25(11-15-27)34(45)51-29-18-19-30(33(37(41,42)43)32(29)36(38,39)40)52-35(46)26-12-16-28(17-13-26)49-22-8-9-23-50-31(44)5-2;1-3-27(45)51-19-7-5-17-49-21-9-11-22(12-10-21)53-33(47)23-13-15-25(30(36(42,43)44)29(23)35(39,40)41)54-34(48)24-14-16-26(32(38)31(24)37)50-18-6-8-20-52-28(46)4-2;1-3-29(43)49-21-7-5-19-47-24-11-9-23(10-12-24)33(45)52-28-18-17-27(31(35(37,38)39)32(28)36(40,41)42)34(46)51-26-15-13-25(14-16-26)48-20-6-8-22-50-30(44)4-2/h3-4,9-14,19,21-23H,1-2,5-8,15-18,20H2;3-4,13-22H,1-2,5-12,23-26H2;2*3-4,13-22H,1-2,5-12,23-26H2;4-5,10-19H,1-3,6-9,20-23H2;3-4,9-16H,1-2,5-8,17-20H2;3-4,17-18,23-26H,1-2,5-16,19-22H2
InChIKeyHUEPQBYHTZCAPC-UHFFFAOYSA-N
XLogP66.29
TPSA699.98 Ų
H-Bond Donors
H-Bond Acceptors58
Rotatable Bonds135
Heavy Atoms373
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005310.88
LogP ≤ 566.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1058

Analyze 4-[[7-[4-[difluoro-[4-(4-prop-2-enoyloxybutoxy)-2,3-bis(trifluoromethyl)phenoxy]methyl]-3,5-difluorophenyl]-9H-fluoren-2-yl]oxy]butyl prop-2-enoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(4-buta-1,3-dien-2-yloxybutoxy)benzoate;[4-(4-prop-2-enoyloxybutoxy)cyclohexyl] 4-[4-(4-prop-2-enoyloxybutoxy)cyclohexanecarbonyl]oxy-2,3-bis(trifluoromethyl)benzoate;[4-(4-prop-2-enoyloxybutoxy)phenyl] 4-[2,3-difluoro-4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;6-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)-2,3-bis(trifluoromethyl)phenyl]phenyl]phenoxy]hexyl prop-2-enoate;6-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]-2,3-bis(trifluoromethyl)phenyl]phenoxy]hexyl prop-2-enoate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[[7-[4-[difluoro-[4-(4-prop-2-enoyloxybutoxy)-2,3-bis(trifluoromethyl)phenoxy]methyl]-3,5-difluorophenyl]-9H-fluoren-2-yl]oxy]butyl prop-2-enoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(4-buta-1,3-dien-2-yloxybutoxy)benzoate;[4-(4-prop-2-enoyloxybutoxy)cyclohexyl] 4-[4-(4-prop-2-enoyloxybutoxy)cyclohexanecarbonyl]oxy-2,3-bis(trifluoromethyl)benzoate;[4-(4-prop-2-enoyloxybutoxy)phenyl] 4-[2,3-difluoro-4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;6-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)-2,3-bis(trifluoromethyl)phenyl]phenyl]phenoxy]hexyl prop-2-enoate;6-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]-2,3-bis(trifluoromethyl)phenyl]phenoxy]hexyl prop-2-enoate?
The IUPAC name of 4-[[7-[4-[difluoro-[4-(4-prop-2-enoyloxybutoxy)-2,3-bis(trifluoromethyl)phenoxy]methyl]-3,5-difluorophenyl]-9H-fluoren-2-yl]oxy]butyl prop-2-enoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(4-buta-1,3-dien-2-yloxybutoxy)benzoate;[4-(4-prop-2-enoyloxybutoxy)cyclohexyl] 4-[4-(4-prop-2-enoyloxybutoxy)cyclohexanecarbonyl]oxy-2,3-bis(trifluoromethyl)benzoate;[4-(4-prop-2-enoyloxybutoxy)phenyl] 4-[2,3-difluoro-4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;6-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)-2,3-bis(trifluoromethyl)phenyl]phenyl]phenoxy]hexyl prop-2-enoate;6-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]-2,3-bis(trifluoromethyl)phenyl]phenoxy]hexyl prop-2-enoate (CID 158588923) is 4-[[7-[4-[difluoro-[4-(4-prop-2-enoyloxybutoxy)-2,3-bis(trifluoromethyl)phenoxy]methyl]-3,5-difluorophenyl]-9H-fluoren-2-yl]oxy]butyl prop-2-enoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(4-buta-1,3-dien-2-yloxybutoxy)benzoate;[4-(4-prop-2-enoyloxybutoxy)cyclohexyl] 4-[4-(4-prop-2-enoyloxybutoxy)cyclohexanecarbonyl]oxy-2,3-bis(trifluoromethyl)benzoate;[4-(4-prop-2-enoyloxybutoxy)phenyl] 4-[2,3-difluoro-4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;6-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)-2,3-bis(trifluoromethyl)phenyl]phenyl]phenoxy]hexyl prop-2-enoate;6-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]-2,3-bis(trifluoromethyl)phenyl]phenoxy]hexyl prop-2-enoate.
What is the SMILES notation for 4-[[7-[4-[difluoro-[4-(4-prop-2-enoyloxybutoxy)-2,3-bis(trifluoromethyl)phenoxy]methyl]-3,5-difluorophenyl]-9H-fluoren-2-yl]oxy]butyl prop-2-enoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(4-buta-1,3-dien-2-yloxybutoxy)benzoate;[4-(4-prop-2-enoyloxybutoxy)cyclohexyl] 4-[4-(4-prop-2-enoyloxybutoxy)cyclohexanecarbonyl]oxy-2,3-bis(trifluoromethyl)benzoate;[4-(4-prop-2-enoyloxybutoxy)phenyl] 4-[2,3-difluoro-4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;6-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)-2,3-bis(trifluoromethyl)phenyl]phenyl]phenoxy]hexyl prop-2-enoate;6-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]-2,3-bis(trifluoromethyl)phenyl]phenoxy]hexyl prop-2-enoate?
The canonical SMILES for 4-[[7-[4-[difluoro-[4-(4-prop-2-enoyloxybutoxy)-2,3-bis(trifluoromethyl)phenoxy]methyl]-3,5-difluorophenyl]-9H-fluoren-2-yl]oxy]butyl prop-2-enoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(4-buta-1,3-dien-2-yloxybutoxy)benzoate;[4-(4-prop-2-enoyloxybutoxy)cyclohexyl] 4-[4-(4-prop-2-enoyloxybutoxy)cyclohexanecarbonyl]oxy-2,3-bis(trifluoromethyl)benzoate;[4-(4-prop-2-enoyloxybutoxy)phenyl] 4-[2,3-difluoro-4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;6-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)-2,3-bis(trifluoromethyl)phenyl]phenyl]phenoxy]hexyl prop-2-enoate;6-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]-2,3-bis(trifluoromethyl)phenyl]phenoxy]hexyl prop-2-enoate is C=CC(=C)OCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCOC(=O)C=C)cc3)c(C(F)(F)F)c2C(F)(F)F)cc1.C=CC(=O)OCCCCCCOc1ccc(-c2ccc(-c3ccc(OCCCCCCOC(=O)C=C)c(C(F)(F)F)c3C(F)(F)F)cc2)cc1.C=CC(=O)OCCCCCCOc1ccc(-c2ccc(-c3ccc(OCCCCCCOC(=O)C=C)cc3)c(C(F)(F)F)c2C(F)(F)F)cc1.C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3)c(C(F)(F)F)c2C(F)(F)F)cc1.C=CC(=O)OCCCCOC1CCC(OC(=O)c2ccc(OC(=O)C3CCC(OCCCCOC(=O)C=C)CC3)c(C(F)(F)F)c2C(F)(F)F)CC1.C=CC(=O)OCCCCOc1ccc(OC(=O)c2ccc(OC(=O)c3ccc(OCCCCOC(=O)C=C)c(F)c3F)c(C(F)(F)F)c2C(F)(F)F)cc1.C=CC(=O)OCCCCOc1ccc2c(c1)Cc1cc(-c3cc(F)c(C(F)(F)Oc4ccc(OCCCCOC(=O)C=C)c(C(F)(F)F)c4C(F)(F)F)c(F)c3)ccc1-2.
What is the InChIKey of 4-[[7-[4-[difluoro-[4-(4-prop-2-enoyloxybutoxy)-2,3-bis(trifluoromethyl)phenoxy]methyl]-3,5-difluorophenyl]-9H-fluoren-2-yl]oxy]butyl prop-2-enoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(4-buta-1,3-dien-2-yloxybutoxy)benzoate;[4-(4-prop-2-enoyloxybutoxy)cyclohexyl] 4-[4-(4-prop-2-enoyloxybutoxy)cyclohexanecarbonyl]oxy-2,3-bis(trifluoromethyl)benzoate;[4-(4-prop-2-enoyloxybutoxy)phenyl] 4-[2,3-difluoro-4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;6-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)-2,3-bis(trifluoromethyl)phenyl]phenyl]phenoxy]hexyl prop-2-enoate;6-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]-2,3-bis(trifluoromethyl)phenyl]phenoxy]hexyl prop-2-enoate?
The InChIKey is HUEPQBYHTZCAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34F10O7.C40H40F6O10.2C38H40F6O6.C37H34F6O9.C36H30F8O10.C36H44F6O10/c1-3-35(53)57-17-7-5-15-55-28-10-12-30-27(21-28)20-26-19-24(9-11-29(26)30)25-22-31(43)37(32(44)23-25)42(51,52)59-34-14-13-33(56-16-6-8-18-58-36(54)4-2)38(40(45,46)47)39(34)41(48,49)50;1-3-33(47)53-25-11-7-5-9-23-51-29-17-13-27(14-18-29)37(49)55-31-21-22-32(36(40(44,45)46)35(31)39(41,42)43)56-38(50)28-15-19-30(20-16-28)52-24-10-6-8-12-26-54-34(48)4-2;1-3-33(45)49-25-11-7-5-9-23-47-29-17-13-27(14-18-29)31-21-22-32(36(38(42,43)44)35(31)37(39,40)41)28-15-19-30(20-16-28)48-24-10-6-8-12-26-50-34(46)4-2;1-3-33(45)49-25-11-7-5-9-23-47-30-19-17-28(18-20-30)27-13-15-29(16-14-27)31-21-22-32(36(38(42,43)44)35(31)37(39,40)41)48-24-10-6-8-12-26-50-34(46)4-2;1-4-24(3)47-20-6-7-21-48-27-14-10-25(11-15-27)34(45)51-29-18-19-30(33(37(41,42)43)32(29)36(38,39)40)52-35(46)26-12-16-28(17-13-26)49-22-8-9-23-50-31(44)5-2;1-3-27(45)51-19-7-5-17-49-21-9-11-22(12-10-21)53-33(47)23-13-15-25(30(36(42,43)44)29(23)35(39,40)41)54-34(48)24-14-16-26(32(38)31(24)37)50-18-6-8-20-52-28(46)4-2;1-3-29(43)49-21-7-5-19-47-24-11-9-23(10-12-24)33(45)52-28-18-17-27(31(35(37,38)39)32(28)36(40,41)42)34(46)51-26-15-13-25(14-16-26)48-20-6-8-22-50-30(44)4-2/h3-4,9-14,19,21-23H,1-2,5-8,15-18,20H2;3-4,13-22H,1-2,5-12,23-26H2;2*3-4,13-22H,1-2,5-12,23-26H2;4-5,10-19H,1-3,6-9,20-23H2;3-4,9-16H,1-2,5-8,17-20H2;3-4,17-18,23-26H,1-2,5-16,19-22H2.
What are the key properties of 4-[[7-[4-[difluoro-[4-(4-prop-2-enoyloxybutoxy)-2,3-bis(trifluoromethyl)phenoxy]methyl]-3,5-difluorophenyl]-9H-fluoren-2-yl]oxy]butyl prop-2-enoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(4-buta-1,3-dien-2-yloxybutoxy)benzoate;[4-(4-prop-2-enoyloxybutoxy)cyclohexyl] 4-[4-(4-prop-2-enoyloxybutoxy)cyclohexanecarbonyl]oxy-2,3-bis(trifluoromethyl)benzoate;[4-(4-prop-2-enoyloxybutoxy)phenyl] 4-[2,3-difluoro-4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;6-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)-2,3-bis(trifluoromethyl)phenyl]phenyl]phenoxy]hexyl prop-2-enoate;6-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]-2,3-bis(trifluoromethyl)phenyl]phenoxy]hexyl prop-2-enoate?
4-[[7-[4-[difluoro-[4-(4-prop-2-enoyloxybutoxy)-2,3-bis(trifluoromethyl)phenoxy]methyl]-3,5-difluorophenyl]-9H-fluoren-2-yl]oxy]butyl prop-2-enoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(4-buta-1,3-dien-2-yloxybutoxy)benzoate;[4-(4-prop-2-enoyloxybutoxy)cyclohexyl] 4-[4-(4-prop-2-enoyloxybutoxy)cyclohexanecarbonyl]oxy-2,3-bis(trifluoromethyl)benzoate;[4-(4-prop-2-enoyloxybutoxy)phenyl] 4-[2,3-difluoro-4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;6-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)-2,3-bis(trifluoromethyl)phenyl]phenyl]phenoxy]hexyl prop-2-enoate;6-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]-2,3-bis(trifluoromethyl)phenyl]phenoxy]hexyl prop-2-enoate has a molecular weight of 5310.88 g/mol, XLogP of 66.29, 135 rotatable bonds, 0 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-[4-[difluoro-[4-(4-prop-2-enoyloxybutoxy)-2,3-bis(trifluoromethyl)phenoxy]methyl]-3,5-difluorophenyl]-9H-fluoren-2-yl]oxy]butyl prop-2-enoate;[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(4-buta-1,3-dien-2-yloxybutoxy)benzoate;[4-(4-prop-2-enoyloxybutoxy)cyclohexyl] 4-[4-(4-prop-2-enoyloxybutoxy)cyclohexanecarbonyl]oxy-2,3-bis(trifluoromethyl)benzoate;[4-(4-prop-2-enoyloxybutoxy)phenyl] 4-[2,3-difluoro-4-(4-prop-2-enoyloxybutoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)benzoate;[4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy-2,3-bis(trifluoromethyl)phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;6-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)-2,3-bis(trifluoromethyl)phenyl]phenyl]phenoxy]hexyl prop-2-enoate;6-[4-[4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]-2,3-bis(trifluoromethyl)phenyl]phenoxy]hexyl prop-2-enoate is sourced from PubChem (CID 158588923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).