[8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzothiophen-6-yl]oxy]-3,3,4,4,5,5,6,6-octafluorooctyl] 2-methylprop-2-enoate;[8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzothiophen-6-yl]oxy]-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[3-[[1,1-difluoro-3-[(2-phenyl-1-benzothiophen-6-yl)oxy]propoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[(2-phenyl-1-benzothiophen-6-yl)oxy]propoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[[2-(2-ethylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[3-[[2-(4-ethylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate

C222H218F52N2O36S8 — CID 158221944

IUPAC[8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzothiophen-6-yl]oxy]-3,3,4,4,5,5,6,6-octafluorooctyl] 2-methylprop-2-enoate;[8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzothiophen-6-yl]oxy]-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[3-[[1,1-difluoro-3-[(2-phenyl-1-benzothiophen-6-yl)oxy]propoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[(2-phenyl-1-benzothiophen-6-yl)oxy]propoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[[2-(2-ethylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[3-[[2-(4-ethylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate
SMILESC=C(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOc1ccc2cc(-c3ccc(CC)nc3CC)sc2c1.C=C(C)C(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccc(CCCCC)cc3CC)sc2c1.C=C(C)C(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccccc3)sc2c1.C=C(C)C(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccccc3CC)sc2c1.C=CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOc1ccc2cc(-c3ccc(CC)nc3CC)sc2c1.C=CC(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccc(CC)cc3)sc2c1.C=CC(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccc(CCCCC)cc3CC)sc2c1.C=CC(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccccc3)sc2c1
InChIInChI=1S/C32H36F6O5S.C31H34F6O5S.C29H29F8NO3S.C28H27F8NO3S.C27H26F6O5S.C26H24F6O5S.C25H22F6O5S.C24H20F6O5S/c1-5-7-8-9-22-10-13-26(23(6-2)18-22)28-19-24-11-12-25(20-27(24)44-28)40-16-14-30(33,34)42-32(37,38)43-31(35,36)15-17-41-29(39)21(3)4;1-4-7-8-9-21-10-13-25(22(5-2)18-21)27-19-23-11-12-24(20-26(23)43-27)39-16-14-29(32,33)41-31(36,37)42-30(34,35)15-17-40-28(38)6-3;1-5-19-8-10-21(22(6-2)38-19)24-15-18-7-9-20(16-23(18)42-24)40-13-11-26(30,31)28(34,35)29(36,37)27(32,33)12-14-41-25(39)17(3)4;1-4-18-8-10-20(21(5-2)37-18)23-15-17-7-9-19(16-22(17)41-23)39-13-11-25(29,30)27(33,34)28(35,36)26(31,32)12-14-40-24(38)6-3;1-4-18-7-5-6-8-21(18)23-15-19-9-10-20(16-22(19)39-23)35-13-11-25(28,29)37-27(32,33)38-26(30,31)12-14-36-24(34)17(2)3;1-3-17-5-7-18(8-6-17)21-15-19-9-10-20(16-22(19)38-21)34-13-11-24(27,28)36-26(31,32)37-25(29,30)12-14-35-23(33)4-2;1-16(2)22(32)34-13-11-24(28,29)36-25(30,31)35-23(26,27)10-12-33-19-9-8-18-14-20(37-21(18)15-19)17-6-4-3-5-7-17;1-2-21(31)33-13-11-23(27,28)35-24(29,30)34-22(25,26)10-12-32-18-9-8-17-14-19(36-20(17)15-18)16-6-4-3-5-7-16/h10-13,18-20H,3,5-9,14-17H2,1-2,4H3;6,10-13,18-20H,3-5,7-9,14-17H2,1-2H3;7-10,15-16H,3,5-6,11-14H2,1-2,4H3;6-10,15-16H,3-5,11-14H2,1-2H3;5-10,15-16H,2,4,11-14H2,1,3H3;4-10,15-16H,2-3,11-14H2,1H3;3-9,14-15H,1,10-13H2,2H3;2-9,14-15H,1,10-13H2
InChIKeyGDIPMHGMXOYNHC-UHFFFAOYSA-N
MW4734.60 g/mol
LogP67.66
Rot. Bonds118

About [8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzothiophen-6-yl]oxy]-3,3,4,4,5,5,6,6-octafluorooctyl] 2-methylprop-2-enoate;[8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzothiophen-6-yl]oxy]-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[3-[[1,1-difluoro-3-[(2-phenyl-1-benzothiophen-6-yl)oxy]propoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[(2-phenyl-1-benzothiophen-6-yl)oxy]propoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[[2-(2-ethylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[3-[[2-(4-ethylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate

[8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzothiophen-6-yl]oxy]-3,3,4,4,5,5,6,6-octafluorooctyl] 2-methylprop-2-enoate;[8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzothiophen-6-yl]oxy]-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[3-[[1,1-difluoro-3-[(2-phenyl-1-benzothiophen-6-yl)oxy]propoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[(2-phenyl-1-benzothiophen-6-yl)oxy]propoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[[2-(2-ethylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[3-[[2-(4-ethylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate (PubChem CID 158221944) has the molecular formula C222H218F52N2O36S8 and a molecular weight of 4734.60 g/mol. Its IUPAC name is [8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzothiophen-6-yl]oxy]-3,3,4,4,5,5,6,6-octafluorooctyl] 2-methylprop-2-enoate;[8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzothiophen-6-yl]oxy]-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[3-[[1,1-difluoro-3-[(2-phenyl-1-benzothiophen-6-yl)oxy]propoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[(2-phenyl-1-benzothiophen-6-yl)oxy]propoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[[2-(2-ethylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[3-[[2-(4-ethylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate.

Molecular Properties

Compound Name[8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzothiophen-6-yl]oxy]-3,3,4,4,5,5,6,6-octafluorooctyl] 2-methylprop-2-enoate;[8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzothiophen-6-yl]oxy]-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[3-[[1,1-difluoro-3-[(2-phenyl-1-benzothiophen-6-yl)oxy]propoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[(2-phenyl-1-benzothiophen-6-yl)oxy]propoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[[2-(2-ethylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[3-[[2-(4-ethylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate
PubChem CID158221944
Molecular FormulaC222H218F52N2O36S8
Molecular Weight4734.60 g/mol
Exact Mass4731.22
IUPAC Name[8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzothiophen-6-yl]oxy]-3,3,4,4,5,5,6,6-octafluorooctyl] 2-methylprop-2-enoate;[8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzothiophen-6-yl]oxy]-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[3-[[1,1-difluoro-3-[(2-phenyl-1-benzothiophen-6-yl)oxy]propoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[(2-phenyl-1-benzothiophen-6-yl)oxy]propoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[[2-(2-ethylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[3-[[2-(4-ethylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate
SMILESC=C(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOc1ccc2cc(-c3ccc(CC)nc3CC)sc2c1.C=C(C)C(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccc(CCCCC)cc3CC)sc2c1.C=C(C)C(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccccc3)sc2c1.C=C(C)C(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccccc3CC)sc2c1.C=CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOc1ccc2cc(-c3ccc(CC)nc3CC)sc2c1.C=CC(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccc(CC)cc3)sc2c1.C=CC(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccc(CCCCC)cc3CC)sc2c1.C=CC(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccccc3)sc2c1
InChIInChI=1S/C32H36F6O5S.C31H34F6O5S.C29H29F8NO3S.C28H27F8NO3S.C27H26F6O5S.C26H24F6O5S.C25H22F6O5S.C24H20F6O5S/c1-5-7-8-9-22-10-13-26(23(6-2)18-22)28-19-24-11-12-25(20-27(24)44-28)40-16-14-30(33,34)42-32(37,38)43-31(35,36)15-17-41-29(39)21(3)4;1-4-7-8-9-21-10-13-25(22(5-2)18-21)27-19-23-11-12-24(20-26(23)43-27)39-16-14-29(32,33)41-31(36,37)42-30(34,35)15-17-40-28(38)6-3;1-5-19-8-10-21(22(6-2)38-19)24-15-18-7-9-20(16-23(18)42-24)40-13-11-26(30,31)28(34,35)29(36,37)27(32,33)12-14-41-25(39)17(3)4;1-4-18-8-10-20(21(5-2)37-18)23-15-17-7-9-19(16-22(17)41-23)39-13-11-25(29,30)27(33,34)28(35,36)26(31,32)12-14-40-24(38)6-3;1-4-18-7-5-6-8-21(18)23-15-19-9-10-20(16-22(19)39-23)35-13-11-25(28,29)37-27(32,33)38-26(30,31)12-14-36-24(34)17(2)3;1-3-17-5-7-18(8-6-17)21-15-19-9-10-20(16-22(19)38-21)34-13-11-24(27,28)36-26(31,32)37-25(29,30)12-14-35-23(33)4-2;1-16(2)22(32)34-13-11-24(28,29)36-25(30,31)35-23(26,27)10-12-33-19-9-8-18-14-20(37-21(18)15-19)17-6-4-3-5-7-17;1-2-21(31)33-13-11-23(27,28)35-24(29,30)34-22(25,26)10-12-32-18-9-8-17-14-19(36-20(17)15-18)16-6-4-3-5-7-16/h10-13,18-20H,3,5-9,14-17H2,1-2,4H3;6,10-13,18-20H,3-5,7-9,14-17H2,1-2H3;7-10,15-16H,3,5-6,11-14H2,1-2,4H3;6-10,15-16H,3-5,11-14H2,1-2H3;5-10,15-16H,2,4,11-14H2,1,3H3;4-10,15-16H,2-3,11-14H2,1H3;3-9,14-15H,1,10-13H2,2H3;2-9,14-15H,1,10-13H2
InChIKeyGDIPMHGMXOYNHC-UHFFFAOYSA-N
XLogP67.66
TPSA420.78 Ų
H-Bond Donors
H-Bond Acceptors46
Rotatable Bonds118
Heavy Atoms320
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004734.60
LogP ≤ 567.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1046

Analyze [8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzothiophen-6-yl]oxy]-3,3,4,4,5,5,6,6-octafluorooctyl] 2-methylprop-2-enoate;[8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzothiophen-6-yl]oxy]-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[3-[[1,1-difluoro-3-[(2-phenyl-1-benzothiophen-6-yl)oxy]propoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[(2-phenyl-1-benzothiophen-6-yl)oxy]propoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[[2-(2-ethylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[3-[[2-(4-ethylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate with MolForge

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Related Compounds

[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methoxy-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methoxy-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]octyl] prop-2-enoate;bis([3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]octyl] 2-methylprop-2-enoate);[3,3,4,4,5,5,6,6-octafluoro-8-[[2-(2-methyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]octyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[(2-pyridin-3-yl-1-benzothiophen-6-yl)oxy]octyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[(2-pyridin-3-yl-1-benzothiophen-6-yl)oxy]octyl] prop-2-enoate
CID 161258371
[8-[[2-(2-ethylphenyl)-1-benzothiophen-6-yl]oxy]-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate
CID 146391108
[7-[[2-(2-ethylphenyl)-1-benzothiophen-6-yl]oxy]-4,4-difluoroheptyl] 2-methylprop-2-enoate
CID 146391161
[2-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxymethyl]-4,4,4-trifluorobutyl] prop-2-enoate
CID 146391389
[3-[[3-[1,7-bis[[3-(2-ethyl-4-pentylphenyl)-2-oxochromen-7-yl]oxy]heptan-4-yloxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate
CID 153454786
[3,3,3-trifluoro-2-[[2-[4-pentyl-2-(trifluoromethyl)phenyl]-1-benzothiophen-6-yl]oxymethyl]propyl] prop-2-enoate
CID 146391058
[3-[[3-[2-(2,6-diethyl-3-pyridinyl)-1-(2-methylpropyl)indol-6-yl]oxy-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate
CID 146391442
[7-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-4,4-difluoroheptyl] 2,3-diaminopropanoate
CID 162608915
[3-[[2-(2,6-diethyl-3-pyridinyl)-1-benzothiophen-6-yl]oxy]-2-methylpropyl] 2-methylprop-2-enoate
CID 159919128
[3,3,4,4,5,5,6,6-octafluoro-8-[3-(2-methyl-4-pentylphenyl)-2-oxochromen-7-yl]oxyoctyl] 2-methylprop-2-enoate
CID 162061589
[3-[[2-(2-ethylphenyl)-1-benzothiophen-6-yl]oxy]-2,2-dimethylpropyl] 2-methylprop-2-enoate
CID 159919127
11-[3-[4-pentyl-2-(trifluoromethyl)phenyl]-2-sulfanylidenethiochromen-7-yl]oxyundecyl prop-2-enoate
CID 162487865

Frequently Asked Questions

What is the IUPAC name of [8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzothiophen-6-yl]oxy]-3,3,4,4,5,5,6,6-octafluorooctyl] 2-methylprop-2-enoate;[8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzothiophen-6-yl]oxy]-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[3-[[1,1-difluoro-3-[(2-phenyl-1-benzothiophen-6-yl)oxy]propoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[(2-phenyl-1-benzothiophen-6-yl)oxy]propoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[[2-(2-ethylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[3-[[2-(4-ethylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate?
The IUPAC name of [8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzothiophen-6-yl]oxy]-3,3,4,4,5,5,6,6-octafluorooctyl] 2-methylprop-2-enoate;[8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzothiophen-6-yl]oxy]-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[3-[[1,1-difluoro-3-[(2-phenyl-1-benzothiophen-6-yl)oxy]propoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[(2-phenyl-1-benzothiophen-6-yl)oxy]propoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[[2-(2-ethylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[3-[[2-(4-ethylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate (CID 158221944) is [8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzothiophen-6-yl]oxy]-3,3,4,4,5,5,6,6-octafluorooctyl] 2-methylprop-2-enoate;[8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzothiophen-6-yl]oxy]-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[3-[[1,1-difluoro-3-[(2-phenyl-1-benzothiophen-6-yl)oxy]propoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[(2-phenyl-1-benzothiophen-6-yl)oxy]propoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[[2-(2-ethylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[3-[[2-(4-ethylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate.
What is the SMILES notation for [8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzothiophen-6-yl]oxy]-3,3,4,4,5,5,6,6-octafluorooctyl] 2-methylprop-2-enoate;[8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzothiophen-6-yl]oxy]-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[3-[[1,1-difluoro-3-[(2-phenyl-1-benzothiophen-6-yl)oxy]propoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[(2-phenyl-1-benzothiophen-6-yl)oxy]propoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[[2-(2-ethylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[3-[[2-(4-ethylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate?
The canonical SMILES for [8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzothiophen-6-yl]oxy]-3,3,4,4,5,5,6,6-octafluorooctyl] 2-methylprop-2-enoate;[8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzothiophen-6-yl]oxy]-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[3-[[1,1-difluoro-3-[(2-phenyl-1-benzothiophen-6-yl)oxy]propoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[(2-phenyl-1-benzothiophen-6-yl)oxy]propoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[[2-(2-ethylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[3-[[2-(4-ethylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate is C=C(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOc1ccc2cc(-c3ccc(CC)nc3CC)sc2c1.C=C(C)C(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccc(CCCCC)cc3CC)sc2c1.C=C(C)C(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccccc3)sc2c1.C=C(C)C(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccccc3CC)sc2c1.C=CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOc1ccc2cc(-c3ccc(CC)nc3CC)sc2c1.C=CC(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccc(CC)cc3)sc2c1.C=CC(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccc(CCCCC)cc3CC)sc2c1.C=CC(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccccc3)sc2c1.
What is the InChIKey of [8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzothiophen-6-yl]oxy]-3,3,4,4,5,5,6,6-octafluorooctyl] 2-methylprop-2-enoate;[8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzothiophen-6-yl]oxy]-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[3-[[1,1-difluoro-3-[(2-phenyl-1-benzothiophen-6-yl)oxy]propoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[(2-phenyl-1-benzothiophen-6-yl)oxy]propoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[[2-(2-ethylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[3-[[2-(4-ethylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate?
The InChIKey is GDIPMHGMXOYNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36F6O5S.C31H34F6O5S.C29H29F8NO3S.C28H27F8NO3S.C27H26F6O5S.C26H24F6O5S.C25H22F6O5S.C24H20F6O5S/c1-5-7-8-9-22-10-13-26(23(6-2)18-22)28-19-24-11-12-25(20-27(24)44-28)40-16-14-30(33,34)42-32(37,38)43-31(35,36)15-17-41-29(39)21(3)4;1-4-7-8-9-21-10-13-25(22(5-2)18-21)27-19-23-11-12-24(20-26(23)43-27)39-16-14-29(32,33)41-31(36,37)42-30(34,35)15-17-40-28(38)6-3;1-5-19-8-10-21(22(6-2)38-19)24-15-18-7-9-20(16-23(18)42-24)40-13-11-26(30,31)28(34,35)29(36,37)27(32,33)12-14-41-25(39)17(3)4;1-4-18-8-10-20(21(5-2)37-18)23-15-17-7-9-19(16-22(17)41-23)39-13-11-25(29,30)27(33,34)28(35,36)26(31,32)12-14-40-24(38)6-3;1-4-18-7-5-6-8-21(18)23-15-19-9-10-20(16-22(19)39-23)35-13-11-25(28,29)37-27(32,33)38-26(30,31)12-14-36-24(34)17(2)3;1-3-17-5-7-18(8-6-17)21-15-19-9-10-20(16-22(19)38-21)34-13-11-24(27,28)36-26(31,32)37-25(29,30)12-14-35-23(33)4-2;1-16(2)22(32)34-13-11-24(28,29)36-25(30,31)35-23(26,27)10-12-33-19-9-8-18-14-20(37-21(18)15-19)17-6-4-3-5-7-17;1-2-21(31)33-13-11-23(27,28)35-24(29,30)34-22(25,26)10-12-32-18-9-8-17-14-19(36-20(17)15-18)16-6-4-3-5-7-16/h10-13,18-20H,3,5-9,14-17H2,1-2,4H3;6,10-13,18-20H,3-5,7-9,14-17H2,1-2H3;7-10,15-16H,3,5-6,11-14H2,1-2,4H3;6-10,15-16H,3-5,11-14H2,1-2H3;5-10,15-16H,2,4,11-14H2,1,3H3;4-10,15-16H,2-3,11-14H2,1H3;3-9,14-15H,1,10-13H2,2H3;2-9,14-15H,1,10-13H2.
What are the key properties of [8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzothiophen-6-yl]oxy]-3,3,4,4,5,5,6,6-octafluorooctyl] 2-methylprop-2-enoate;[8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzothiophen-6-yl]oxy]-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[3-[[1,1-difluoro-3-[(2-phenyl-1-benzothiophen-6-yl)oxy]propoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[(2-phenyl-1-benzothiophen-6-yl)oxy]propoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[[2-(2-ethylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[3-[[2-(4-ethylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate?
[8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzothiophen-6-yl]oxy]-3,3,4,4,5,5,6,6-octafluorooctyl] 2-methylprop-2-enoate;[8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzothiophen-6-yl]oxy]-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[3-[[1,1-difluoro-3-[(2-phenyl-1-benzothiophen-6-yl)oxy]propoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[(2-phenyl-1-benzothiophen-6-yl)oxy]propoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[[2-(2-ethylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[3-[[2-(4-ethylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate has a molecular weight of 4734.60 g/mol, XLogP of 67.66, 118 rotatable bonds, 0 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzothiophen-6-yl]oxy]-3,3,4,4,5,5,6,6-octafluorooctyl] 2-methylprop-2-enoate;[8-[[2-(2,6-diethyl-3-pyridinyl)-1-benzothiophen-6-yl]oxy]-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[3-[[1,1-difluoro-3-[(2-phenyl-1-benzothiophen-6-yl)oxy]propoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[1,1-difluoro-3-[(2-phenyl-1-benzothiophen-6-yl)oxy]propoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[3-[[2-(2-ethyl-4-pentylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate;[3-[[3-[[2-(2-ethylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] 2-methylprop-2-enoate;[3-[[3-[[2-(4-ethylphenyl)-1-benzothiophen-6-yl]oxy]-1,1-difluoropropoxy]-difluoromethoxy]-3,3-difluoropropyl] prop-2-enoate is sourced from PubChem (CID 158221944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).