[4-[2-[3,5-difluoro-4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,6-difluorophenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]propan-2-yl]phenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]propan-2-yl]phenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyloxy]phenyl]propan-2-yl]phenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[4-[4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]sulfonylphenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoate;[4-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyloxy]phenyl]sulfonylphenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate

C280H230F28O76S3 — CID 157296665

IUPAC[4-[2-[3,5-difluoro-4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,6-difluorophenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]propan-2-yl]phenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]propan-2-yl]phenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyloxy]phenyl]propan-2-yl]phenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[4-[4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]sulfonylphenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoate;[4-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyloxy]phenyl]sulfonylphenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate
SMILESC=CC(=O)OCOc1ccc(C(=O)Oc2c(F)cc(C(c3cc(F)c(OC(=O)c4ccc(OCOC(=O)C=C)cc4C)c(F)c3)(C(F)(F)F)C(F)(F)F)cc2F)c(C)c1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(C(c3ccc(OC(=O)c4ccc(OCOC(=O)C=C)cc4C)cc3)(C(F)(F)F)C(F)(F)F)cc2)c(C)c1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)c4ccc(OCOC(=O)C=C)cc4C)cc3)cc2)c(C)c1.C=CC(=O)OCOc1ccc(C=CC(=O)Oc2ccc(C(c3ccc(OC(=O)C=Cc4ccc(OCOC(=O)C=C)cc4C)cc3)(C(F)(F)F)C(F)(F)F)cc2)c(C)c1.C=CC(=O)OCOc1ccc(C=CC(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)C=Cc4ccc(OCOC(=O)C=C)cc4C)cc3)cc2)c(C)c1.C=CC(=O)OCOc1ccc(CCC(=O)Oc2ccc(C(c3ccc(OC(=O)CCc4ccc(OCOC(=O)C=C)cc4C)cc3)(C(F)(F)F)C(F)(F)F)cc2)c(C)c1.C=CC(=O)OCOc1ccc(CCC(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)CCc4ccc(OCOC(=O)C=C)cc4C)cc3)cc2)c(C)c1
InChIInChI=1S/C43H38F6O10.C43H34F6O10.C40H38O12S.C40H34O12S.C39H26F10O10.C39H30F6O10.C36H30O12S/c2*1-5-37(50)56-25-54-35-15-7-29(27(3)23-35)9-21-39(52)58-33-17-11-31(12-18-33)41(42(44,45)46,43(47,48)49)32-13-19-34(20-14-32)59-40(53)22-10-30-8-16-36(24-28(30)4)55-26-57-38(51)6-2;2*1-5-37(41)49-25-47-33-11-7-29(27(3)23-33)9-21-39(43)51-31-13-17-35(18-14-31)53(45,46)36-19-15-32(16-20-36)52-40(44)22-10-30-8-12-34(24-28(30)4)48-26-50-38(42)6-2;1-5-31(50)56-17-54-23-7-9-25(19(3)11-23)35(52)58-33-27(40)13-21(14-28(33)41)37(38(44,45)46,39(47,48)49)22-15-29(42)34(30(43)16-22)59-36(53)26-10-8-24(12-20(26)4)55-18-57-32(51)6-2;1-5-33(46)52-21-50-29-15-17-31(23(3)19-29)35(48)54-27-11-7-25(8-12-27)37(38(40,41)42,39(43,44)45)26-9-13-28(14-10-26)55-36(49)32-18-16-30(20-24(32)4)51-22-53-34(47)6-2;1-5-33(37)45-21-43-27-11-17-31(23(3)19-27)35(39)47-25-7-13-29(14-8-25)49(41,42)30-15-9-26(10-16-30)48-36(40)32-18-12-28(20-24(32)4)44-22-46-34(38)6-2/h5-8,11-20,23-24H,1-2,9-10,21-22,25-26H2,3-4H3;5-24H,1-2,25-26H2,3-4H3;5-8,11-20,23-24H,1-2,9-10,21-22,25-26H2,3-4H3;5-24H,1-2,25-26H2,3-4H3;5-16H,1-2,17-18H2,3-4H3;5-20H,1-2,21-22H2,3-4H3;5-20H,1-2,21-22H2,3-4H3
InChIKeyBBKSDWQUZZNFDB-UHFFFAOYSA-N
MW5438.99 g/mol
LogP53.68
Rot. Bonds110

About [4-[2-[3,5-difluoro-4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,6-difluorophenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]propan-2-yl]phenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]propan-2-yl]phenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyloxy]phenyl]propan-2-yl]phenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[4-[4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]sulfonylphenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoate;[4-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyloxy]phenyl]sulfonylphenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate

[4-[2-[3,5-difluoro-4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,6-difluorophenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]propan-2-yl]phenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]propan-2-yl]phenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyloxy]phenyl]propan-2-yl]phenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[4-[4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]sulfonylphenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoate;[4-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyloxy]phenyl]sulfonylphenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate (PubChem CID 157296665) has the molecular formula C280H230F28O76S3 and a molecular weight of 5438.99 g/mol. Its IUPAC name is [4-[2-[3,5-difluoro-4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,6-difluorophenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]propan-2-yl]phenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]propan-2-yl]phenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyloxy]phenyl]propan-2-yl]phenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[4-[4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]sulfonylphenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoate;[4-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyloxy]phenyl]sulfonylphenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate.

Molecular Properties

Compound Name[4-[2-[3,5-difluoro-4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,6-difluorophenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]propan-2-yl]phenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]propan-2-yl]phenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyloxy]phenyl]propan-2-yl]phenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[4-[4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]sulfonylphenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoate;[4-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyloxy]phenyl]sulfonylphenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate
PubChem CID157296665
Molecular FormulaC280H230F28O76S3
Molecular Weight5438.99 g/mol
Exact Mass5435.28
IUPAC Name[4-[2-[3,5-difluoro-4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,6-difluorophenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]propan-2-yl]phenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]propan-2-yl]phenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyloxy]phenyl]propan-2-yl]phenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[4-[4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]sulfonylphenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoate;[4-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyloxy]phenyl]sulfonylphenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate
SMILESC=CC(=O)OCOc1ccc(C(=O)Oc2c(F)cc(C(c3cc(F)c(OC(=O)c4ccc(OCOC(=O)C=C)cc4C)c(F)c3)(C(F)(F)F)C(F)(F)F)cc2F)c(C)c1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(C(c3ccc(OC(=O)c4ccc(OCOC(=O)C=C)cc4C)cc3)(C(F)(F)F)C(F)(F)F)cc2)c(C)c1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)c4ccc(OCOC(=O)C=C)cc4C)cc3)cc2)c(C)c1.C=CC(=O)OCOc1ccc(C=CC(=O)Oc2ccc(C(c3ccc(OC(=O)C=Cc4ccc(OCOC(=O)C=C)cc4C)cc3)(C(F)(F)F)C(F)(F)F)cc2)c(C)c1.C=CC(=O)OCOc1ccc(C=CC(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)C=Cc4ccc(OCOC(=O)C=C)cc4C)cc3)cc2)c(C)c1.C=CC(=O)OCOc1ccc(CCC(=O)Oc2ccc(C(c3ccc(OC(=O)CCc4ccc(OCOC(=O)C=C)cc4C)cc3)(C(F)(F)F)C(F)(F)F)cc2)c(C)c1.C=CC(=O)OCOc1ccc(CCC(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)CCc4ccc(OCOC(=O)C=C)cc4C)cc3)cc2)c(C)c1
InChIInChI=1S/C43H38F6O10.C43H34F6O10.C40H38O12S.C40H34O12S.C39H26F10O10.C39H30F6O10.C36H30O12S/c2*1-5-37(50)56-25-54-35-15-7-29(27(3)23-35)9-21-39(52)58-33-17-11-31(12-18-33)41(42(44,45)46,43(47,48)49)32-13-19-34(20-14-32)59-40(53)22-10-30-8-16-36(24-28(30)4)55-26-57-38(51)6-2;2*1-5-37(41)49-25-47-33-11-7-29(27(3)23-33)9-21-39(43)51-31-13-17-35(18-14-31)53(45,46)36-19-15-32(16-20-36)52-40(44)22-10-30-8-12-34(24-28(30)4)48-26-50-38(42)6-2;1-5-31(50)56-17-54-23-7-9-25(19(3)11-23)35(52)58-33-27(40)13-21(14-28(33)41)37(38(44,45)46,39(47,48)49)22-15-29(42)34(30(43)16-22)59-36(53)26-10-8-24(12-20(26)4)55-18-57-32(51)6-2;1-5-33(46)52-21-50-29-15-17-31(23(3)19-29)35(48)54-27-11-7-25(8-12-27)37(38(40,41)42,39(43,44)45)26-9-13-28(14-10-26)55-36(49)32-18-16-30(20-24(32)4)51-22-53-34(47)6-2;1-5-33(37)45-21-43-27-11-17-31(23(3)19-27)35(39)47-25-7-13-29(14-8-25)49(41,42)30-15-9-26(10-16-30)48-36(40)32-18-12-28(20-24(32)4)44-22-46-34(38)6-2/h5-8,11-20,23-24H,1-2,9-10,21-22,25-26H2,3-4H3;5-24H,1-2,25-26H2,3-4H3;5-8,11-20,23-24H,1-2,9-10,21-22,25-26H2,3-4H3;5-24H,1-2,25-26H2,3-4H3;5-16H,1-2,17-18H2,3-4H3;5-20H,1-2,21-22H2,3-4H3;5-20H,1-2,21-22H2,3-4H3
InChIKeyBBKSDWQUZZNFDB-UHFFFAOYSA-N
XLogP53.68
TPSA968.04 Ų
H-Bond Donors
H-Bond Acceptors76
Rotatable Bonds110
Heavy Atoms387
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005438.99
LogP ≤ 553.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1076

Analyze [4-[2-[3,5-difluoro-4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,6-difluorophenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]propan-2-yl]phenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]propan-2-yl]phenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyloxy]phenyl]propan-2-yl]phenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[4-[4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]sulfonylphenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoate;[4-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyloxy]phenyl]sulfonylphenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[3,5-difluoro-4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,6-difluorophenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]propan-2-yl]phenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]propan-2-yl]phenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyloxy]phenyl]propan-2-yl]phenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[4-[4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]sulfonylphenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoate;[4-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyloxy]phenyl]sulfonylphenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate?
The IUPAC name of [4-[2-[3,5-difluoro-4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,6-difluorophenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]propan-2-yl]phenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]propan-2-yl]phenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyloxy]phenyl]propan-2-yl]phenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[4-[4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]sulfonylphenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoate;[4-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyloxy]phenyl]sulfonylphenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate (CID 157296665) is [4-[2-[3,5-difluoro-4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,6-difluorophenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]propan-2-yl]phenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]propan-2-yl]phenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyloxy]phenyl]propan-2-yl]phenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[4-[4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]sulfonylphenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoate;[4-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyloxy]phenyl]sulfonylphenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate.
What is the SMILES notation for [4-[2-[3,5-difluoro-4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,6-difluorophenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]propan-2-yl]phenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]propan-2-yl]phenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyloxy]phenyl]propan-2-yl]phenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[4-[4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]sulfonylphenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoate;[4-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyloxy]phenyl]sulfonylphenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate?
The canonical SMILES for [4-[2-[3,5-difluoro-4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,6-difluorophenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]propan-2-yl]phenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]propan-2-yl]phenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyloxy]phenyl]propan-2-yl]phenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[4-[4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]sulfonylphenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoate;[4-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyloxy]phenyl]sulfonylphenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate is C=CC(=O)OCOc1ccc(C(=O)Oc2c(F)cc(C(c3cc(F)c(OC(=O)c4ccc(OCOC(=O)C=C)cc4C)c(F)c3)(C(F)(F)F)C(F)(F)F)cc2F)c(C)c1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(C(c3ccc(OC(=O)c4ccc(OCOC(=O)C=C)cc4C)cc3)(C(F)(F)F)C(F)(F)F)cc2)c(C)c1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)c4ccc(OCOC(=O)C=C)cc4C)cc3)cc2)c(C)c1.C=CC(=O)OCOc1ccc(C=CC(=O)Oc2ccc(C(c3ccc(OC(=O)C=Cc4ccc(OCOC(=O)C=C)cc4C)cc3)(C(F)(F)F)C(F)(F)F)cc2)c(C)c1.C=CC(=O)OCOc1ccc(C=CC(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)C=Cc4ccc(OCOC(=O)C=C)cc4C)cc3)cc2)c(C)c1.C=CC(=O)OCOc1ccc(CCC(=O)Oc2ccc(C(c3ccc(OC(=O)CCc4ccc(OCOC(=O)C=C)cc4C)cc3)(C(F)(F)F)C(F)(F)F)cc2)c(C)c1.C=CC(=O)OCOc1ccc(CCC(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)CCc4ccc(OCOC(=O)C=C)cc4C)cc3)cc2)c(C)c1.
What is the InChIKey of [4-[2-[3,5-difluoro-4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,6-difluorophenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]propan-2-yl]phenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]propan-2-yl]phenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyloxy]phenyl]propan-2-yl]phenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[4-[4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]sulfonylphenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoate;[4-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyloxy]phenyl]sulfonylphenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate?
The InChIKey is BBKSDWQUZZNFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H38F6O10.C43H34F6O10.C40H38O12S.C40H34O12S.C39H26F10O10.C39H30F6O10.C36H30O12S/c2*1-5-37(50)56-25-54-35-15-7-29(27(3)23-35)9-21-39(52)58-33-17-11-31(12-18-33)41(42(44,45)46,43(47,48)49)32-13-19-34(20-14-32)59-40(53)22-10-30-8-16-36(24-28(30)4)55-26-57-38(51)6-2;2*1-5-37(41)49-25-47-33-11-7-29(27(3)23-33)9-21-39(43)51-31-13-17-35(18-14-31)53(45,46)36-19-15-32(16-20-36)52-40(44)22-10-30-8-12-34(24-28(30)4)48-26-50-38(42)6-2;1-5-31(50)56-17-54-23-7-9-25(19(3)11-23)35(52)58-33-27(40)13-21(14-28(33)41)37(38(44,45)46,39(47,48)49)22-15-29(42)34(30(43)16-22)59-36(53)26-10-8-24(12-20(26)4)55-18-57-32(51)6-2;1-5-33(46)52-21-50-29-15-17-31(23(3)19-29)35(48)54-27-11-7-25(8-12-27)37(38(40,41)42,39(43,44)45)26-9-13-28(14-10-26)55-36(49)32-18-16-30(20-24(32)4)51-22-53-34(47)6-2;1-5-33(37)45-21-43-27-11-17-31(23(3)19-27)35(39)47-25-7-13-29(14-8-25)49(41,42)30-15-9-26(10-16-30)48-36(40)32-18-12-28(20-24(32)4)44-22-46-34(38)6-2/h5-8,11-20,23-24H,1-2,9-10,21-22,25-26H2,3-4H3;5-24H,1-2,25-26H2,3-4H3;5-8,11-20,23-24H,1-2,9-10,21-22,25-26H2,3-4H3;5-24H,1-2,25-26H2,3-4H3;5-16H,1-2,17-18H2,3-4H3;5-20H,1-2,21-22H2,3-4H3;5-20H,1-2,21-22H2,3-4H3.
What are the key properties of [4-[2-[3,5-difluoro-4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,6-difluorophenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]propan-2-yl]phenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]propan-2-yl]phenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyloxy]phenyl]propan-2-yl]phenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[4-[4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]sulfonylphenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoate;[4-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyloxy]phenyl]sulfonylphenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate?
[4-[2-[3,5-difluoro-4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,6-difluorophenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]propan-2-yl]phenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]propan-2-yl]phenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyloxy]phenyl]propan-2-yl]phenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[4-[4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]sulfonylphenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoate;[4-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyloxy]phenyl]sulfonylphenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate has a molecular weight of 5438.99 g/mol, XLogP of 53.68, 110 rotatable bonds, 0 hydrogen bond donors, and 76 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[3,5-difluoro-4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,6-difluorophenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]propan-2-yl]phenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]propan-2-yl]phenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyloxy]phenyl]propan-2-yl]phenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[4-[4-[2-methyl-4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-methyl-4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl]sulfonylphenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]propanoate;[4-[4-[3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyloxy]phenyl]sulfonylphenyl] 3-[2-methyl-4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate is sourced from PubChem (CID 157296665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).