1-adamantyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,3,3,3-tetrafluoropropanoate;1-adamantylmethyl 2,2-difluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylacetate;1-adamantylmethyl 2,2-difluoro-2-[1,1,1-trifluoro-3-[2-(2-methylpropyl)-1,3-dioxan-2-yl]propan-2-yl]oxysulfonylacetate;1-adamantylmethyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,2-difluoroacetate;1-adamantylmethyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,3,3,3-tetrafluoropropanoate;1-adamantylmethyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylpropanoate;1-adamantylmethyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-[2-(2-methylpropyl)-1,3-dioxan-2-yl]propan-2-yl]oxysulfonylpropanoate;1-adamantyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylpropanoate

C183H246F50O56S8 — CID 165062658

IUPAC1-adamantyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,3,3,3-tetrafluoropropanoate;1-adamantylmethyl 2,2-difluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylacetate;1-adamantylmethyl 2,2-difluoro-2-[1,1,1-trifluoro-3-[2-(2-methylpropyl)-1,3-dioxan-2-yl]propan-2-yl]oxysulfonylacetate;1-adamantylmethyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,2-difluoroacetate;1-adamantylmethyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,3,3,3-tetrafluoropropanoate;1-adamantylmethyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylpropanoate;1-adamantylmethyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-[2-(2-methylpropyl)-1,3-dioxan-2-yl]propan-2-yl]oxysulfonylpropanoate;1-adamantyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylpropanoate
SMILESCC(C)CC1(CC(OS(=O)(=O)C(F)(C(=O)OCC23CC4CC(CC(C4)C2)C3)C(F)(F)F)C(F)(F)F)OCCCO1.CC(C)CC1(CC(OS(=O)(=O)C(F)(F)C(=O)OCC23CC4CC(CC(C4)C2)C3)C(F)(F)F)OCCCO1.CC1(CC(OS(=O)(=O)C(F)(C(=O)OC23CC4CC(CC(C4)C2)C3)C(F)(F)F)C(F)(F)F)OCCCO1.CC1(CC(OS(=O)(=O)C(F)(C(=O)OCC23CC4CC(CC(C4)C2)C3)C(F)(F)F)C(F)(F)F)OCCCO1.CC1(CC(OS(=O)(=O)C(F)(F)C(=O)OCC23CC4CC(CC(C4)C2)C3)C(F)(F)F)OCCCO1.O=C(OC12CC3CC(CC(C3)C1)C2)C(F)(C(F)(F)F)S(=O)(=O)OC(C1CCCC12OCCCO2)C(F)(F)F.O=C(OCC12CC3CC(CC(C3)C1)C2)C(F)(C(F)(F)F)S(=O)(=O)OC(C1CCCC12OCCCO2)C(F)(F)F.O=C(OCC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)OC(C1CCCC12OCCCO2)C(F)(F)F
InChIInChI=1S/C25H35F7O7S.C24H31F7O7S.C24H35F5O7S.C23H29F7O7S.C23H31F5O7S.C22H29F7O7S.C21H27F7O7S.C21H29F5O7S/c1-15(2)9-22(37-4-3-5-38-22)13-19(24(27,28)29)39-40(34,35)23(26,25(30,31)32)20(33)36-14-21-10-16-6-17(11-21)8-18(7-16)12-21;25-22(24(29,30)31,19(32)35-13-20-10-14-7-15(11-20)9-16(8-14)12-20)39(33,34)38-18(23(26,27)28)17-3-1-4-21(17)36-5-2-6-37-21;1-15(2)9-22(34-4-3-5-35-22)13-19(23(25,26)27)36-37(31,32)24(28,29)20(30)33-14-21-10-16-6-17(11-21)8-18(7-16)12-21;24-21(23(28,29)30,18(31)36-19-10-13-7-14(11-19)9-15(8-13)12-19)38(32,33)37-17(22(25,26)27)16-3-1-4-20(16)34-5-2-6-35-20;24-22(25,26)18(17-3-1-4-21(17)33-5-2-6-34-21)35-36(30,31)23(27,28)19(29)32-13-20-10-14-7-15(11-20)9-16(8-14)12-20;1-18(34-3-2-4-35-18)11-16(21(24,25)26)36-37(31,32)20(23,22(27,28)29)17(30)33-12-19-8-13-5-14(9-19)7-15(6-13)10-19;1-17(32-3-2-4-33-17)11-15(20(23,24)25)35-36(30,31)19(22,21(26,27)28)16(29)34-18-8-12-5-13(9-18)7-14(6-12)10-18;1-18(31-3-2-4-32-18)11-16(20(22,23)24)33-34(28,29)21(25,26)17(27)30-12-19-8-13-5-14(9-19)7-15(6-13)10-19/h15-19H,3-14H2,1-2H3;14-18H,1-13H2;15-19H,3-14H2,1-2H3;13-17H,1-12H2;14-18H,1-13H2;13-16H,2-12H2,1H3;12-15H,2-11H2,1H3;13-16H,2-12H2,1H3
InChIKeyRLLDGQCZSZOVAK-UHFFFAOYSA-N
MW4548.36 g/mol
LogP39.18
Rot. Bonds63

About 1-adamantyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,3,3,3-tetrafluoropropanoate;1-adamantylmethyl 2,2-difluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylacetate;1-adamantylmethyl 2,2-difluoro-2-[1,1,1-trifluoro-3-[2-(2-methylpropyl)-1,3-dioxan-2-yl]propan-2-yl]oxysulfonylacetate;1-adamantylmethyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,2-difluoroacetate;1-adamantylmethyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,3,3,3-tetrafluoropropanoate;1-adamantylmethyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylpropanoate;1-adamantylmethyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-[2-(2-methylpropyl)-1,3-dioxan-2-yl]propan-2-yl]oxysulfonylpropanoate;1-adamantyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylpropanoate

1-adamantyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,3,3,3-tetrafluoropropanoate;1-adamantylmethyl 2,2-difluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylacetate;1-adamantylmethyl 2,2-difluoro-2-[1,1,1-trifluoro-3-[2-(2-methylpropyl)-1,3-dioxan-2-yl]propan-2-yl]oxysulfonylacetate;1-adamantylmethyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,2-difluoroacetate;1-adamantylmethyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,3,3,3-tetrafluoropropanoate;1-adamantylmethyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylpropanoate;1-adamantylmethyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-[2-(2-methylpropyl)-1,3-dioxan-2-yl]propan-2-yl]oxysulfonylpropanoate;1-adamantyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylpropanoate (PubChem CID 165062658) has the molecular formula C183H246F50O56S8 and a molecular weight of 4548.36 g/mol. Its IUPAC name is 1-adamantyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,3,3,3-tetrafluoropropanoate;1-adamantylmethyl 2,2-difluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylacetate;1-adamantylmethyl 2,2-difluoro-2-[1,1,1-trifluoro-3-[2-(2-methylpropyl)-1,3-dioxan-2-yl]propan-2-yl]oxysulfonylacetate;1-adamantylmethyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,2-difluoroacetate;1-adamantylmethyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,3,3,3-tetrafluoropropanoate;1-adamantylmethyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylpropanoate;1-adamantylmethyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-[2-(2-methylpropyl)-1,3-dioxan-2-yl]propan-2-yl]oxysulfonylpropanoate;1-adamantyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylpropanoate.

Molecular Properties

Compound Name1-adamantyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,3,3,3-tetrafluoropropanoate;1-adamantylmethyl 2,2-difluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylacetate;1-adamantylmethyl 2,2-difluoro-2-[1,1,1-trifluoro-3-[2-(2-methylpropyl)-1,3-dioxan-2-yl]propan-2-yl]oxysulfonylacetate;1-adamantylmethyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,2-difluoroacetate;1-adamantylmethyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,3,3,3-tetrafluoropropanoate;1-adamantylmethyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylpropanoate;1-adamantylmethyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-[2-(2-methylpropyl)-1,3-dioxan-2-yl]propan-2-yl]oxysulfonylpropanoate;1-adamantyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylpropanoate
PubChem CID165062658
Molecular FormulaC183H246F50O56S8
Molecular Weight4548.36 g/mol
Exact Mass4545.34
IUPAC Name1-adamantyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,3,3,3-tetrafluoropropanoate;1-adamantylmethyl 2,2-difluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylacetate;1-adamantylmethyl 2,2-difluoro-2-[1,1,1-trifluoro-3-[2-(2-methylpropyl)-1,3-dioxan-2-yl]propan-2-yl]oxysulfonylacetate;1-adamantylmethyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,2-difluoroacetate;1-adamantylmethyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,3,3,3-tetrafluoropropanoate;1-adamantylmethyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylpropanoate;1-adamantylmethyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-[2-(2-methylpropyl)-1,3-dioxan-2-yl]propan-2-yl]oxysulfonylpropanoate;1-adamantyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylpropanoate
SMILESCC(C)CC1(CC(OS(=O)(=O)C(F)(C(=O)OCC23CC4CC(CC(C4)C2)C3)C(F)(F)F)C(F)(F)F)OCCCO1.CC(C)CC1(CC(OS(=O)(=O)C(F)(F)C(=O)OCC23CC4CC(CC(C4)C2)C3)C(F)(F)F)OCCCO1.CC1(CC(OS(=O)(=O)C(F)(C(=O)OC23CC4CC(CC(C4)C2)C3)C(F)(F)F)C(F)(F)F)OCCCO1.CC1(CC(OS(=O)(=O)C(F)(C(=O)OCC23CC4CC(CC(C4)C2)C3)C(F)(F)F)C(F)(F)F)OCCCO1.CC1(CC(OS(=O)(=O)C(F)(F)C(=O)OCC23CC4CC(CC(C4)C2)C3)C(F)(F)F)OCCCO1.O=C(OC12CC3CC(CC(C3)C1)C2)C(F)(C(F)(F)F)S(=O)(=O)OC(C1CCCC12OCCCO2)C(F)(F)F.O=C(OCC12CC3CC(CC(C3)C1)C2)C(F)(C(F)(F)F)S(=O)(=O)OC(C1CCCC12OCCCO2)C(F)(F)F.O=C(OCC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)OC(C1CCCC12OCCCO2)C(F)(F)F
InChIInChI=1S/C25H35F7O7S.C24H31F7O7S.C24H35F5O7S.C23H29F7O7S.C23H31F5O7S.C22H29F7O7S.C21H27F7O7S.C21H29F5O7S/c1-15(2)9-22(37-4-3-5-38-22)13-19(24(27,28)29)39-40(34,35)23(26,25(30,31)32)20(33)36-14-21-10-16-6-17(11-21)8-18(7-16)12-21;25-22(24(29,30)31,19(32)35-13-20-10-14-7-15(11-20)9-16(8-14)12-20)39(33,34)38-18(23(26,27)28)17-3-1-4-21(17)36-5-2-6-37-21;1-15(2)9-22(34-4-3-5-35-22)13-19(23(25,26)27)36-37(31,32)24(28,29)20(30)33-14-21-10-16-6-17(11-21)8-18(7-16)12-21;24-21(23(28,29)30,18(31)36-19-10-13-7-14(11-19)9-15(8-13)12-19)38(32,33)37-17(22(25,26)27)16-3-1-4-20(16)34-5-2-6-35-20;24-22(25,26)18(17-3-1-4-21(17)33-5-2-6-34-21)35-36(30,31)23(27,28)19(29)32-13-20-10-14-7-15(11-20)9-16(8-14)12-20;1-18(34-3-2-4-35-18)11-16(21(24,25)26)36-37(31,32)20(23,22(27,28)29)17(30)33-12-19-8-13-5-14(9-19)7-15(6-13)10-19;1-17(32-3-2-4-33-17)11-15(20(23,24)25)35-36(30,31)19(22,21(26,27)28)16(29)34-18-8-12-5-13(9-18)7-14(6-12)10-18;1-18(31-3-2-4-32-18)11-16(20(22,23)24)33-34(28,29)21(25,26)17(27)30-12-19-8-13-5-14(9-19)7-15(6-13)10-19/h15-19H,3-14H2,1-2H3;14-18H,1-13H2;15-19H,3-14H2,1-2H3;13-17H,1-12H2;14-18H,1-13H2;13-16H,2-12H2,1H3;12-15H,2-11H2,1H3;13-16H,2-12H2,1H3
InChIKeyRLLDGQCZSZOVAK-UHFFFAOYSA-N
XLogP39.18
TPSA705.04 Ų
H-Bond Donors
H-Bond Acceptors56
Rotatable Bonds63
Heavy Atoms297
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004548.36
LogP ≤ 539.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1056

Analyze 1-adamantyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,3,3,3-tetrafluoropropanoate;1-adamantylmethyl 2,2-difluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylacetate;1-adamantylmethyl 2,2-difluoro-2-[1,1,1-trifluoro-3-[2-(2-methylpropyl)-1,3-dioxan-2-yl]propan-2-yl]oxysulfonylacetate;1-adamantylmethyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,2-difluoroacetate;1-adamantylmethyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,3,3,3-tetrafluoropropanoate;1-adamantylmethyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylpropanoate;1-adamantylmethyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-[2-(2-methylpropyl)-1,3-dioxan-2-yl]propan-2-yl]oxysulfonylpropanoate;1-adamantyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylpropanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,3,3,3-tetrafluoropropanoate;1-adamantylmethyl 2,2-difluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylacetate;1-adamantylmethyl 2,2-difluoro-2-[1,1,1-trifluoro-3-[2-(2-methylpropyl)-1,3-dioxan-2-yl]propan-2-yl]oxysulfonylacetate;1-adamantylmethyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,2-difluoroacetate;1-adamantylmethyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,3,3,3-tetrafluoropropanoate;1-adamantylmethyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylpropanoate;1-adamantylmethyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-[2-(2-methylpropyl)-1,3-dioxan-2-yl]propan-2-yl]oxysulfonylpropanoate;1-adamantyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylpropanoate?
The IUPAC name of 1-adamantyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,3,3,3-tetrafluoropropanoate;1-adamantylmethyl 2,2-difluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylacetate;1-adamantylmethyl 2,2-difluoro-2-[1,1,1-trifluoro-3-[2-(2-methylpropyl)-1,3-dioxan-2-yl]propan-2-yl]oxysulfonylacetate;1-adamantylmethyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,2-difluoroacetate;1-adamantylmethyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,3,3,3-tetrafluoropropanoate;1-adamantylmethyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylpropanoate;1-adamantylmethyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-[2-(2-methylpropyl)-1,3-dioxan-2-yl]propan-2-yl]oxysulfonylpropanoate;1-adamantyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylpropanoate (CID 165062658) is 1-adamantyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,3,3,3-tetrafluoropropanoate;1-adamantylmethyl 2,2-difluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylacetate;1-adamantylmethyl 2,2-difluoro-2-[1,1,1-trifluoro-3-[2-(2-methylpropyl)-1,3-dioxan-2-yl]propan-2-yl]oxysulfonylacetate;1-adamantylmethyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,2-difluoroacetate;1-adamantylmethyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,3,3,3-tetrafluoropropanoate;1-adamantylmethyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylpropanoate;1-adamantylmethyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-[2-(2-methylpropyl)-1,3-dioxan-2-yl]propan-2-yl]oxysulfonylpropanoate;1-adamantyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylpropanoate.
What is the SMILES notation for 1-adamantyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,3,3,3-tetrafluoropropanoate;1-adamantylmethyl 2,2-difluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylacetate;1-adamantylmethyl 2,2-difluoro-2-[1,1,1-trifluoro-3-[2-(2-methylpropyl)-1,3-dioxan-2-yl]propan-2-yl]oxysulfonylacetate;1-adamantylmethyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,2-difluoroacetate;1-adamantylmethyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,3,3,3-tetrafluoropropanoate;1-adamantylmethyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylpropanoate;1-adamantylmethyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-[2-(2-methylpropyl)-1,3-dioxan-2-yl]propan-2-yl]oxysulfonylpropanoate;1-adamantyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylpropanoate?
The canonical SMILES for 1-adamantyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,3,3,3-tetrafluoropropanoate;1-adamantylmethyl 2,2-difluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylacetate;1-adamantylmethyl 2,2-difluoro-2-[1,1,1-trifluoro-3-[2-(2-methylpropyl)-1,3-dioxan-2-yl]propan-2-yl]oxysulfonylacetate;1-adamantylmethyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,2-difluoroacetate;1-adamantylmethyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,3,3,3-tetrafluoropropanoate;1-adamantylmethyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylpropanoate;1-adamantylmethyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-[2-(2-methylpropyl)-1,3-dioxan-2-yl]propan-2-yl]oxysulfonylpropanoate;1-adamantyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylpropanoate is CC(C)CC1(CC(OS(=O)(=O)C(F)(C(=O)OCC23CC4CC(CC(C4)C2)C3)C(F)(F)F)C(F)(F)F)OCCCO1.CC(C)CC1(CC(OS(=O)(=O)C(F)(F)C(=O)OCC23CC4CC(CC(C4)C2)C3)C(F)(F)F)OCCCO1.CC1(CC(OS(=O)(=O)C(F)(C(=O)OC23CC4CC(CC(C4)C2)C3)C(F)(F)F)C(F)(F)F)OCCCO1.CC1(CC(OS(=O)(=O)C(F)(C(=O)OCC23CC4CC(CC(C4)C2)C3)C(F)(F)F)C(F)(F)F)OCCCO1.CC1(CC(OS(=O)(=O)C(F)(F)C(=O)OCC23CC4CC(CC(C4)C2)C3)C(F)(F)F)OCCCO1.O=C(OC12CC3CC(CC(C3)C1)C2)C(F)(C(F)(F)F)S(=O)(=O)OC(C1CCCC12OCCCO2)C(F)(F)F.O=C(OCC12CC3CC(CC(C3)C1)C2)C(F)(C(F)(F)F)S(=O)(=O)OC(C1CCCC12OCCCO2)C(F)(F)F.O=C(OCC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)OC(C1CCCC12OCCCO2)C(F)(F)F.
What is the InChIKey of 1-adamantyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,3,3,3-tetrafluoropropanoate;1-adamantylmethyl 2,2-difluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylacetate;1-adamantylmethyl 2,2-difluoro-2-[1,1,1-trifluoro-3-[2-(2-methylpropyl)-1,3-dioxan-2-yl]propan-2-yl]oxysulfonylacetate;1-adamantylmethyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,2-difluoroacetate;1-adamantylmethyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,3,3,3-tetrafluoropropanoate;1-adamantylmethyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylpropanoate;1-adamantylmethyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-[2-(2-methylpropyl)-1,3-dioxan-2-yl]propan-2-yl]oxysulfonylpropanoate;1-adamantyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylpropanoate?
The InChIKey is RLLDGQCZSZOVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35F7O7S.C24H31F7O7S.C24H35F5O7S.C23H29F7O7S.C23H31F5O7S.C22H29F7O7S.C21H27F7O7S.C21H29F5O7S/c1-15(2)9-22(37-4-3-5-38-22)13-19(24(27,28)29)39-40(34,35)23(26,25(30,31)32)20(33)36-14-21-10-16-6-17(11-21)8-18(7-16)12-21;25-22(24(29,30)31,19(32)35-13-20-10-14-7-15(11-20)9-16(8-14)12-20)39(33,34)38-18(23(26,27)28)17-3-1-4-21(17)36-5-2-6-37-21;1-15(2)9-22(34-4-3-5-35-22)13-19(23(25,26)27)36-37(31,32)24(28,29)20(30)33-14-21-10-16-6-17(11-21)8-18(7-16)12-21;24-21(23(28,29)30,18(31)36-19-10-13-7-14(11-19)9-15(8-13)12-19)38(32,33)37-17(22(25,26)27)16-3-1-4-20(16)34-5-2-6-35-20;24-22(25,26)18(17-3-1-4-21(17)33-5-2-6-34-21)35-36(30,31)23(27,28)19(29)32-13-20-10-14-7-15(11-20)9-16(8-14)12-20;1-18(34-3-2-4-35-18)11-16(21(24,25)26)36-37(31,32)20(23,22(27,28)29)17(30)33-12-19-8-13-5-14(9-19)7-15(6-13)10-19;1-17(32-3-2-4-33-17)11-15(20(23,24)25)35-36(30,31)19(22,21(26,27)28)16(29)34-18-8-12-5-13(9-18)7-14(6-12)10-18;1-18(31-3-2-4-32-18)11-16(20(22,23)24)33-34(28,29)21(25,26)17(27)30-12-19-8-13-5-14(9-19)7-15(6-13)10-19/h15-19H,3-14H2,1-2H3;14-18H,1-13H2;15-19H,3-14H2,1-2H3;13-17H,1-12H2;14-18H,1-13H2;13-16H,2-12H2,1H3;12-15H,2-11H2,1H3;13-16H,2-12H2,1H3.
What are the key properties of 1-adamantyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,3,3,3-tetrafluoropropanoate;1-adamantylmethyl 2,2-difluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylacetate;1-adamantylmethyl 2,2-difluoro-2-[1,1,1-trifluoro-3-[2-(2-methylpropyl)-1,3-dioxan-2-yl]propan-2-yl]oxysulfonylacetate;1-adamantylmethyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,2-difluoroacetate;1-adamantylmethyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,3,3,3-tetrafluoropropanoate;1-adamantylmethyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylpropanoate;1-adamantylmethyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-[2-(2-methylpropyl)-1,3-dioxan-2-yl]propan-2-yl]oxysulfonylpropanoate;1-adamantyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylpropanoate?
1-adamantyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,3,3,3-tetrafluoropropanoate;1-adamantylmethyl 2,2-difluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylacetate;1-adamantylmethyl 2,2-difluoro-2-[1,1,1-trifluoro-3-[2-(2-methylpropyl)-1,3-dioxan-2-yl]propan-2-yl]oxysulfonylacetate;1-adamantylmethyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,2-difluoroacetate;1-adamantylmethyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,3,3,3-tetrafluoropropanoate;1-adamantylmethyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylpropanoate;1-adamantylmethyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-[2-(2-methylpropyl)-1,3-dioxan-2-yl]propan-2-yl]oxysulfonylpropanoate;1-adamantyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylpropanoate has a molecular weight of 4548.36 g/mol, XLogP of 39.18, 63 rotatable bonds, 0 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,3,3,3-tetrafluoropropanoate;1-adamantylmethyl 2,2-difluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylacetate;1-adamantylmethyl 2,2-difluoro-2-[1,1,1-trifluoro-3-[2-(2-methylpropyl)-1,3-dioxan-2-yl]propan-2-yl]oxysulfonylacetate;1-adamantylmethyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,2-difluoroacetate;1-adamantylmethyl 2-[1-(6,10-dioxaspiro[4.5]decan-4-yl)-2,2,2-trifluoroethoxy]sulfonyl-2,3,3,3-tetrafluoropropanoate;1-adamantylmethyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylpropanoate;1-adamantylmethyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-[2-(2-methylpropyl)-1,3-dioxan-2-yl]propan-2-yl]oxysulfonylpropanoate;1-adamantyl 2,3,3,3-tetrafluoro-2-[1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]oxysulfonylpropanoate is sourced from PubChem (CID 165062658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).