[4-[2-[3,5-difluoro-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,6-difluorophenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[3,5-dimethyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonyl-2,6-dimethylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]propan-2-yl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;[3-methyl-4-[2-methyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate

C202H218F16O56S3 — CID 158709659

IUPAC[4-[2-[3,5-difluoro-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,6-difluorophenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[3,5-dimethyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonyl-2,6-dimethylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]propan-2-yl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;[3-methyl-4-[2-methyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C=CC(=O)OCOc1ccc(C(=O)Oc2c(C)cc(S(=O)(=O)c3cc(C)c(OC(=O)c4ccc(OCOC(=O)C=C)cc4)c(C)c3)cc2C)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2c(F)cc(C(c3cc(F)c(OC(=O)c4ccc(OCOC(=O)C=C)cc4)c(F)c3)(C(F)(F)F)C(F)(F)F)cc2F)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(C(c3ccc(OC(=O)c4ccc(OCOC(=O)C=C)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)c4ccc(OCOC(=O)C=C)cc4)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)c4ccc(OCOC(=O)C=C)cc4)cc3C)c(C)c2)cc1
InChIInChI=1S/C38H34O12S.C37H22F10O10.C37H26F6O10.C36H30O12S.C34H26O12S.20CH4/c1-7-33(39)47-21-45-29-13-9-27(10-14-29)37(41)49-35-23(3)17-31(18-24(35)4)51(43,44)32-19-25(5)36(26(6)20-32)50-38(42)28-11-15-30(16-12-28)46-22-48-34(40)8-2;1-3-29(48)54-17-52-23-9-5-19(6-10-23)33(50)56-31-25(38)13-21(14-26(31)39)35(36(42,43)44,37(45,46)47)22-15-27(40)32(28(41)16-22)57-34(51)20-7-11-24(12-8-20)53-18-55-30(49)4-2;1-3-31(44)50-21-48-27-13-5-23(6-14-27)33(46)52-29-17-9-25(10-18-29)35(36(38,39)40,37(41,42)43)26-11-19-30(20-12-26)53-34(47)24-7-15-28(16-8-24)49-22-51-32(45)4-2;1-5-33(37)45-21-43-27-11-7-25(8-12-27)35(39)47-29-15-17-31(23(3)19-29)49(41,42)32-18-16-30(20-24(32)4)48-36(40)26-9-13-28(14-10-26)44-22-46-34(38)6-2;1-3-31(35)43-21-41-25-9-5-23(6-10-25)33(37)45-27-13-17-29(18-14-27)47(39,40)30-19-15-28(16-20-30)46-34(38)24-7-11-26(12-8-24)42-22-44-32(36)4-2;;;;;;;;;;;;;;;;;;;;/h7-20H,1-2,21-22H2,3-6H3;3-16H,1-2,17-18H2;3-20H,1-2,21-22H2;5-20H,1-2,21-22H2,3-4H3;3-20H,1-2,21-22H2;20*1H4
InChIKeyIIOFRCVPDLQTOM-UHFFFAOYSA-N
MW3942.08 g/mol
LogP45.73
Rot. Bonds70

About [4-[2-[3,5-difluoro-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,6-difluorophenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[3,5-dimethyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonyl-2,6-dimethylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]propan-2-yl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;[3-methyl-4-[2-methyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate

[4-[2-[3,5-difluoro-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,6-difluorophenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[3,5-dimethyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonyl-2,6-dimethylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]propan-2-yl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;[3-methyl-4-[2-methyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate (PubChem CID 158709659) has the molecular formula C202H218F16O56S3 and a molecular weight of 3942.08 g/mol. Its IUPAC name is [4-[2-[3,5-difluoro-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,6-difluorophenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[3,5-dimethyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonyl-2,6-dimethylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]propan-2-yl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;[3-methyl-4-[2-methyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate.

Molecular Properties

Compound Name[4-[2-[3,5-difluoro-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,6-difluorophenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[3,5-dimethyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonyl-2,6-dimethylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]propan-2-yl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;[3-methyl-4-[2-methyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate
PubChem CID158709659
Molecular FormulaC202H218F16O56S3
Molecular Weight3942.08 g/mol
Exact Mass3939.31
IUPAC Name[4-[2-[3,5-difluoro-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,6-difluorophenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[3,5-dimethyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonyl-2,6-dimethylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]propan-2-yl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;[3-methyl-4-[2-methyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C=CC(=O)OCOc1ccc(C(=O)Oc2c(C)cc(S(=O)(=O)c3cc(C)c(OC(=O)c4ccc(OCOC(=O)C=C)cc4)c(C)c3)cc2C)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2c(F)cc(C(c3cc(F)c(OC(=O)c4ccc(OCOC(=O)C=C)cc4)c(F)c3)(C(F)(F)F)C(F)(F)F)cc2F)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(C(c3ccc(OC(=O)c4ccc(OCOC(=O)C=C)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)c4ccc(OCOC(=O)C=C)cc4)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)c4ccc(OCOC(=O)C=C)cc4)cc3C)c(C)c2)cc1
InChIInChI=1S/C38H34O12S.C37H22F10O10.C37H26F6O10.C36H30O12S.C34H26O12S.20CH4/c1-7-33(39)47-21-45-29-13-9-27(10-14-29)37(41)49-35-23(3)17-31(18-24(35)4)51(43,44)32-19-25(5)36(26(6)20-32)50-38(42)28-11-15-30(16-12-28)46-22-48-34(40)8-2;1-3-29(48)54-17-52-23-9-5-19(6-10-23)33(50)56-31-25(38)13-21(14-26(31)39)35(36(42,43)44,37(45,46)47)22-15-27(40)32(28(41)16-22)57-34(51)20-7-11-24(12-8-20)53-18-55-30(49)4-2;1-3-31(44)50-21-48-27-13-5-23(6-14-27)33(46)52-29-17-9-25(10-18-29)35(36(38,39)40,37(41,42)43)26-11-19-30(20-12-26)53-34(47)24-7-15-28(16-8-24)49-22-51-32(45)4-2;1-5-33(37)45-21-43-27-11-7-25(8-12-27)35(39)47-29-15-17-31(23(3)19-29)49(41,42)32-18-16-30(20-24(32)4)48-36(40)26-9-13-28(14-10-26)44-22-46-34(38)6-2;1-3-31(35)43-21-41-25-9-5-23(6-10-25)33(37)45-27-13-17-29(18-14-27)47(39,40)30-19-15-28(16-20-30)46-34(38)24-7-11-26(12-8-24)42-22-44-32(36)4-2;;;;;;;;;;;;;;;;;;;;/h7-20H,1-2,21-22H2,3-6H3;3-16H,1-2,17-18H2;3-20H,1-2,21-22H2;5-20H,1-2,21-22H2,3-4H3;3-20H,1-2,21-22H2;20*1H4
InChIKeyIIOFRCVPDLQTOM-UHFFFAOYSA-N
XLogP45.73
TPSA720.72 Ų
H-Bond Donors
H-Bond Acceptors56
Rotatable Bonds70
Heavy Atoms277
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003942.08
LogP ≤ 545.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1056

Analyze [4-[2-[3,5-difluoro-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,6-difluorophenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[3,5-dimethyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonyl-2,6-dimethylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]propan-2-yl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;[3-methyl-4-[2-methyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[3,5-difluoro-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,6-difluorophenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[3,5-dimethyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonyl-2,6-dimethylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]propan-2-yl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;[3-methyl-4-[2-methyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate?
The IUPAC name of [4-[2-[3,5-difluoro-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,6-difluorophenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[3,5-dimethyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonyl-2,6-dimethylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]propan-2-yl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;[3-methyl-4-[2-methyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate (CID 158709659) is [4-[2-[3,5-difluoro-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,6-difluorophenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[3,5-dimethyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonyl-2,6-dimethylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]propan-2-yl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;[3-methyl-4-[2-methyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate.
What is the SMILES notation for [4-[2-[3,5-difluoro-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,6-difluorophenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[3,5-dimethyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonyl-2,6-dimethylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]propan-2-yl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;[3-methyl-4-[2-methyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate?
The canonical SMILES for [4-[2-[3,5-difluoro-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,6-difluorophenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[3,5-dimethyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonyl-2,6-dimethylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]propan-2-yl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;[3-methyl-4-[2-methyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C=CC(=O)OCOc1ccc(C(=O)Oc2c(C)cc(S(=O)(=O)c3cc(C)c(OC(=O)c4ccc(OCOC(=O)C=C)cc4)c(C)c3)cc2C)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2c(F)cc(C(c3cc(F)c(OC(=O)c4ccc(OCOC(=O)C=C)cc4)c(F)c3)(C(F)(F)F)C(F)(F)F)cc2F)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(C(c3ccc(OC(=O)c4ccc(OCOC(=O)C=C)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)c4ccc(OCOC(=O)C=C)cc4)cc3)cc2)cc1.C=CC(=O)OCOc1ccc(C(=O)Oc2ccc(S(=O)(=O)c3ccc(OC(=O)c4ccc(OCOC(=O)C=C)cc4)cc3C)c(C)c2)cc1.
What is the InChIKey of [4-[2-[3,5-difluoro-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,6-difluorophenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[3,5-dimethyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonyl-2,6-dimethylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]propan-2-yl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;[3-methyl-4-[2-methyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate?
The InChIKey is IIOFRCVPDLQTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34O12S.C37H22F10O10.C37H26F6O10.C36H30O12S.C34H26O12S.20CH4/c1-7-33(39)47-21-45-29-13-9-27(10-14-29)37(41)49-35-23(3)17-31(18-24(35)4)51(43,44)32-19-25(5)36(26(6)20-32)50-38(42)28-11-15-30(16-12-28)46-22-48-34(40)8-2;1-3-29(48)54-17-52-23-9-5-19(6-10-23)33(50)56-31-25(38)13-21(14-26(31)39)35(36(42,43)44,37(45,46)47)22-15-27(40)32(28(41)16-22)57-34(51)20-7-11-24(12-8-20)53-18-55-30(49)4-2;1-3-31(44)50-21-48-27-13-5-23(6-14-27)33(46)52-29-17-9-25(10-18-29)35(36(38,39)40,37(41,42)43)26-11-19-30(20-12-26)53-34(47)24-7-15-28(16-8-24)49-22-51-32(45)4-2;1-5-33(37)45-21-43-27-11-7-25(8-12-27)35(39)47-29-15-17-31(23(3)19-29)49(41,42)32-18-16-30(20-24(32)4)48-36(40)26-9-13-28(14-10-26)44-22-46-34(38)6-2;1-3-31(35)43-21-41-25-9-5-23(6-10-25)33(37)45-27-13-17-29(18-14-27)47(39,40)30-19-15-28(16-20-30)46-34(38)24-7-11-26(12-8-24)42-22-44-32(36)4-2;;;;;;;;;;;;;;;;;;;;/h7-20H,1-2,21-22H2,3-6H3;3-16H,1-2,17-18H2;3-20H,1-2,21-22H2;5-20H,1-2,21-22H2,3-4H3;3-20H,1-2,21-22H2;20*1H4.
What are the key properties of [4-[2-[3,5-difluoro-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,6-difluorophenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[3,5-dimethyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonyl-2,6-dimethylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]propan-2-yl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;[3-methyl-4-[2-methyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate?
[4-[2-[3,5-difluoro-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,6-difluorophenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[3,5-dimethyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonyl-2,6-dimethylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]propan-2-yl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;[3-methyl-4-[2-methyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate has a molecular weight of 3942.08 g/mol, XLogP of 45.73, 70 rotatable bonds, 0 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[3,5-difluoro-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,6-difluorophenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[3,5-dimethyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonyl-2,6-dimethylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]propan-2-yl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;[3-methyl-4-[2-methyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate is sourced from PubChem (CID 158709659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).