[8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzofuran-6-yl]sulfanyl]-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methoxy-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methoxy-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[(2-pyridin-3-yl-1-benzofuran-6-yl)sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[(2-pyridin-3-yl-1-benzofuran-6-yl)sulfanyl]octyl] prop-2-enoate

C203H199F56N3O23S7 — CID 160623371

IUPAC[8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzofuran-6-yl]sulfanyl]-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methoxy-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methoxy-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[(2-pyridin-3-yl-1-benzofuran-6-yl)sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[(2-pyridin-3-yl-1-benzofuran-6-yl)sulfanyl]octyl] prop-2-enoate
SMILESC=C(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCSc1ccc2cc(-c3ccc(CCCCC)cc3C)oc2c1.C=C(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCSc1ccc2cc(-c3ccc(CCCCC)cc3OC)oc2c1.C=C(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCSc1ccc2cc(-c3cccnc3)oc2c1.C=CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCSc1ccc2cc(-c3ccc(CC)nc3CC)oc2c1.C=CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCSc1ccc2cc(-c3ccc(CCCCC)cc3C)oc2c1.C=CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCSc1ccc2cc(-c3ccc(CCCCC)cc3OC)oc2c1.C=CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCSc1ccc2cc(-c3cccnc3)oc2c1
InChIInChI=1S/C32H34F8O4S.C32H34F8O3S.C31H32F8O4S.C31H32F8O3S.C28H27F8NO3S.C25H21F8NO3S.C24H19F8NO3S/c1-5-6-7-8-21-9-12-24(26(17-21)42-4)27-18-22-10-11-23(19-25(22)44-27)45-16-14-30(35,36)32(39,40)31(37,38)29(33,34)13-15-43-28(41)20(2)3;1-5-6-7-8-22-9-12-25(21(4)17-22)27-18-23-10-11-24(19-26(23)43-27)44-16-14-30(35,36)32(39,40)31(37,38)29(33,34)13-15-42-28(41)20(2)3;1-4-6-7-8-20-9-12-23(25(17-20)41-3)26-18-21-10-11-22(19-24(21)43-26)44-16-14-29(34,35)31(38,39)30(36,37)28(32,33)13-15-42-27(40)5-2;1-4-6-7-8-21-9-12-24(20(3)17-21)26-18-22-10-11-23(19-25(22)42-26)43-16-14-29(34,35)31(38,39)30(36,37)28(32,33)13-15-41-27(40)5-2;1-4-18-8-10-20(21(5-2)37-18)23-15-17-7-9-19(16-22(17)40-23)41-14-12-26(31,32)28(35,36)27(33,34)25(29,30)11-13-39-24(38)6-3;1-15(2)21(35)36-10-7-22(26,27)24(30,31)25(32,33)23(28,29)8-11-38-18-6-5-16-12-19(37-20(16)13-18)17-4-3-9-34-14-17;1-2-20(34)35-10-7-21(25,26)23(29,30)24(31,32)22(27,28)8-11-37-17-6-5-15-12-18(36-19(15)13-17)16-4-3-9-33-14-16/h9-12,17-19H,2,5-8,13-16H2,1,3-4H3;9-12,17-19H,2,5-8,13-16H2,1,3-4H3;5,9-12,17-19H,2,4,6-8,13-16H2,1,3H3;5,9-12,17-19H,2,4,6-8,13-16H2,1,3H3;6-10,15-16H,3-5,11-14H2,1-2H3;3-6,9,12-14H,1,7-8,10-11H2,2H3;2-6,9,12-14H,1,7-8,10-11H2
InChIKeyRGZGSORXSFGNQD-UHFFFAOYSA-N
MW4337.18 g/mol
LogP65.74
Rot. Bonds104

About [8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzofuran-6-yl]sulfanyl]-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methoxy-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methoxy-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[(2-pyridin-3-yl-1-benzofuran-6-yl)sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[(2-pyridin-3-yl-1-benzofuran-6-yl)sulfanyl]octyl] prop-2-enoate

[8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzofuran-6-yl]sulfanyl]-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methoxy-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methoxy-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[(2-pyridin-3-yl-1-benzofuran-6-yl)sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[(2-pyridin-3-yl-1-benzofuran-6-yl)sulfanyl]octyl] prop-2-enoate (PubChem CID 160623371) has the molecular formula C203H199F56N3O23S7 and a molecular weight of 4337.18 g/mol. Its IUPAC name is [8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzofuran-6-yl]sulfanyl]-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methoxy-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methoxy-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[(2-pyridin-3-yl-1-benzofuran-6-yl)sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[(2-pyridin-3-yl-1-benzofuran-6-yl)sulfanyl]octyl] prop-2-enoate.

Molecular Properties

Compound Name[8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzofuran-6-yl]sulfanyl]-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methoxy-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methoxy-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[(2-pyridin-3-yl-1-benzofuran-6-yl)sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[(2-pyridin-3-yl-1-benzofuran-6-yl)sulfanyl]octyl] prop-2-enoate
PubChem CID160623371
Molecular FormulaC203H199F56N3O23S7
Molecular Weight4337.18 g/mol
Exact Mass4334.16
IUPAC Name[8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzofuran-6-yl]sulfanyl]-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methoxy-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methoxy-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[(2-pyridin-3-yl-1-benzofuran-6-yl)sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[(2-pyridin-3-yl-1-benzofuran-6-yl)sulfanyl]octyl] prop-2-enoate
SMILESC=C(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCSc1ccc2cc(-c3ccc(CCCCC)cc3C)oc2c1.C=C(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCSc1ccc2cc(-c3ccc(CCCCC)cc3OC)oc2c1.C=C(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCSc1ccc2cc(-c3cccnc3)oc2c1.C=CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCSc1ccc2cc(-c3ccc(CC)nc3CC)oc2c1.C=CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCSc1ccc2cc(-c3ccc(CCCCC)cc3C)oc2c1.C=CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCSc1ccc2cc(-c3ccc(CCCCC)cc3OC)oc2c1.C=CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCSc1ccc2cc(-c3cccnc3)oc2c1
InChIInChI=1S/C32H34F8O4S.C32H34F8O3S.C31H32F8O4S.C31H32F8O3S.C28H27F8NO3S.C25H21F8NO3S.C24H19F8NO3S/c1-5-6-7-8-21-9-12-24(26(17-21)42-4)27-18-22-10-11-23(19-25(22)44-27)45-16-14-30(35,36)32(39,40)31(37,38)29(33,34)13-15-43-28(41)20(2)3;1-5-6-7-8-22-9-12-25(21(4)17-22)27-18-23-10-11-24(19-26(23)43-27)44-16-14-30(35,36)32(39,40)31(37,38)29(33,34)13-15-42-28(41)20(2)3;1-4-6-7-8-20-9-12-23(25(17-20)41-3)26-18-21-10-11-22(19-24(21)43-26)44-16-14-29(34,35)31(38,39)30(36,37)28(32,33)13-15-42-27(40)5-2;1-4-6-7-8-21-9-12-24(20(3)17-21)26-18-22-10-11-23(19-25(22)42-26)43-16-14-29(34,35)31(38,39)30(36,37)28(32,33)13-15-41-27(40)5-2;1-4-18-8-10-20(21(5-2)37-18)23-15-17-7-9-19(16-22(17)40-23)41-14-12-26(31,32)28(35,36)27(33,34)25(29,30)11-13-39-24(38)6-3;1-15(2)21(35)36-10-7-22(26,27)24(30,31)25(32,33)23(28,29)8-11-38-18-6-5-16-12-19(37-20(16)13-18)17-4-3-9-34-14-17;1-2-20(34)35-10-7-21(25,26)23(29,30)24(31,32)22(27,28)8-11-37-17-6-5-15-12-18(36-19(15)13-17)16-4-3-9-33-14-16/h9-12,17-19H,2,5-8,13-16H2,1,3-4H3;9-12,17-19H,2,5-8,13-16H2,1,3-4H3;5,9-12,17-19H,2,4,6-8,13-16H2,1,3H3;5,9-12,17-19H,2,4,6-8,13-16H2,1,3H3;6-10,15-16H,3-5,11-14H2,1-2H3;3-6,9,12-14H,1,7-8,10-11H2,2H3;2-6,9,12-14H,1,7-8,10-11H2
InChIKeyRGZGSORXSFGNQD-UHFFFAOYSA-N
XLogP65.74
TPSA333.21 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds104
Heavy Atoms292
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004337.18
LogP ≤ 565.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Analyze [8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzofuran-6-yl]sulfanyl]-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methoxy-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methoxy-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[(2-pyridin-3-yl-1-benzofuran-6-yl)sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[(2-pyridin-3-yl-1-benzofuran-6-yl)sulfanyl]octyl] prop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzofuran-6-yl]sulfanyl]-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methoxy-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methoxy-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[(2-pyridin-3-yl-1-benzofuran-6-yl)sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[(2-pyridin-3-yl-1-benzofuran-6-yl)sulfanyl]octyl] prop-2-enoate?
The IUPAC name of [8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzofuran-6-yl]sulfanyl]-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methoxy-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methoxy-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[(2-pyridin-3-yl-1-benzofuran-6-yl)sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[(2-pyridin-3-yl-1-benzofuran-6-yl)sulfanyl]octyl] prop-2-enoate (CID 160623371) is [8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzofuran-6-yl]sulfanyl]-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methoxy-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methoxy-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[(2-pyridin-3-yl-1-benzofuran-6-yl)sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[(2-pyridin-3-yl-1-benzofuran-6-yl)sulfanyl]octyl] prop-2-enoate.
What is the SMILES notation for [8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzofuran-6-yl]sulfanyl]-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methoxy-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methoxy-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[(2-pyridin-3-yl-1-benzofuran-6-yl)sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[(2-pyridin-3-yl-1-benzofuran-6-yl)sulfanyl]octyl] prop-2-enoate?
The canonical SMILES for [8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzofuran-6-yl]sulfanyl]-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methoxy-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methoxy-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[(2-pyridin-3-yl-1-benzofuran-6-yl)sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[(2-pyridin-3-yl-1-benzofuran-6-yl)sulfanyl]octyl] prop-2-enoate is C=C(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCSc1ccc2cc(-c3ccc(CCCCC)cc3C)oc2c1.C=C(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCSc1ccc2cc(-c3ccc(CCCCC)cc3OC)oc2c1.C=C(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCSc1ccc2cc(-c3cccnc3)oc2c1.C=CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCSc1ccc2cc(-c3ccc(CC)nc3CC)oc2c1.C=CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCSc1ccc2cc(-c3ccc(CCCCC)cc3C)oc2c1.C=CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCSc1ccc2cc(-c3ccc(CCCCC)cc3OC)oc2c1.C=CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCSc1ccc2cc(-c3cccnc3)oc2c1.
What is the InChIKey of [8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzofuran-6-yl]sulfanyl]-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methoxy-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methoxy-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[(2-pyridin-3-yl-1-benzofuran-6-yl)sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[(2-pyridin-3-yl-1-benzofuran-6-yl)sulfanyl]octyl] prop-2-enoate?
The InChIKey is RGZGSORXSFGNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F8O4S.C32H34F8O3S.C31H32F8O4S.C31H32F8O3S.C28H27F8NO3S.C25H21F8NO3S.C24H19F8NO3S/c1-5-6-7-8-21-9-12-24(26(17-21)42-4)27-18-22-10-11-23(19-25(22)44-27)45-16-14-30(35,36)32(39,40)31(37,38)29(33,34)13-15-43-28(41)20(2)3;1-5-6-7-8-22-9-12-25(21(4)17-22)27-18-23-10-11-24(19-26(23)43-27)44-16-14-30(35,36)32(39,40)31(37,38)29(33,34)13-15-42-28(41)20(2)3;1-4-6-7-8-20-9-12-23(25(17-20)41-3)26-18-21-10-11-22(19-24(21)43-26)44-16-14-29(34,35)31(38,39)30(36,37)28(32,33)13-15-42-27(40)5-2;1-4-6-7-8-21-9-12-24(20(3)17-21)26-18-22-10-11-23(19-25(22)42-26)43-16-14-29(34,35)31(38,39)30(36,37)28(32,33)13-15-41-27(40)5-2;1-4-18-8-10-20(21(5-2)37-18)23-15-17-7-9-19(16-22(17)40-23)41-14-12-26(31,32)28(35,36)27(33,34)25(29,30)11-13-39-24(38)6-3;1-15(2)21(35)36-10-7-22(26,27)24(30,31)25(32,33)23(28,29)8-11-38-18-6-5-16-12-19(37-20(16)13-18)17-4-3-9-34-14-17;1-2-20(34)35-10-7-21(25,26)23(29,30)24(31,32)22(27,28)8-11-37-17-6-5-15-12-18(36-19(15)13-17)16-4-3-9-33-14-16/h9-12,17-19H,2,5-8,13-16H2,1,3-4H3;9-12,17-19H,2,5-8,13-16H2,1,3-4H3;5,9-12,17-19H,2,4,6-8,13-16H2,1,3H3;5,9-12,17-19H,2,4,6-8,13-16H2,1,3H3;6-10,15-16H,3-5,11-14H2,1-2H3;3-6,9,12-14H,1,7-8,10-11H2,2H3;2-6,9,12-14H,1,7-8,10-11H2.
What are the key properties of [8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzofuran-6-yl]sulfanyl]-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methoxy-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methoxy-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[(2-pyridin-3-yl-1-benzofuran-6-yl)sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[(2-pyridin-3-yl-1-benzofuran-6-yl)sulfanyl]octyl] prop-2-enoate?
[8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzofuran-6-yl]sulfanyl]-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methoxy-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methoxy-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[(2-pyridin-3-yl-1-benzofuran-6-yl)sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[(2-pyridin-3-yl-1-benzofuran-6-yl)sulfanyl]octyl] prop-2-enoate has a molecular weight of 4337.18 g/mol, XLogP of 65.74, 104 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzofuran-6-yl]sulfanyl]-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methoxy-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methoxy-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methyl-4-pentylphenyl)-1-benzofuran-6-yl]sulfanyl]octyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[(2-pyridin-3-yl-1-benzofuran-6-yl)sulfanyl]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[(2-pyridin-3-yl-1-benzofuran-6-yl)sulfanyl]octyl] prop-2-enoate is sourced from PubChem (CID 160623371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).