2,2-difluoropropyl (3-hydroxy-1-adamantyl)methyl carbonate;[3-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(3-ethyloxetan-3-yl)methoxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(3-hydroxy-1-adamantyl)methoxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;2-[(3-hydroxy-1-adamantyl)methoxycarbonyloxy]ethyl 2,2-difluoropropanoate;[3-(oxiran-2-ylmethoxycarbonyloxy)-1-adamantyl]methyl 2,2-difluoropropanoate;hexakis(10-phenylphenoxathiin-10-ium)

C227H242F12O42S7+6 — CID 157068979

IUPAC2,2-difluoropropyl (3-hydroxy-1-adamantyl)methyl carbonate;[3-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(3-ethyloxetan-3-yl)methoxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(3-hydroxy-1-adamantyl)methoxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;2-[(3-hydroxy-1-adamantyl)methoxycarbonyloxy]ethyl 2,2-difluoropropanoate;[3-(oxiran-2-ylmethoxycarbonyloxy)-1-adamantyl]methyl 2,2-difluoropropanoate;hexakis(10-phenylphenoxathiin-10-ium)
SMILESCC(F)(F)C(=O)OCC12CC3CC(C1)CC(OC(=O)OC1C4CC5C1OS(=O)(=O)C5C4)(C3)C2.CC(F)(F)C(=O)OCC12CC3CC(C1)CC(OC(=O)OCC14CC5CC(CC(O)(C5)C1)C4)(C3)C2.CC(F)(F)C(=O)OCC12CC3CC(C1)CC(OC(=O)OCC1CO1)(C3)C2.CC(F)(F)C(=O)OCCOC(=O)OCC12CC3CC(CC(O)(C3)C1)C2.CC(F)(F)COC(=O)OCC12CC3CC(CC(O)(C3)C1)C2.CCC1(COC(=O)OC23CC4CC(CC(COC(=O)C(C)(F)F)(C4)C2)C3)COC1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C26H36F2O6.C22H28F2O8S.C21H30F2O6.C18H24F2O6.6C18H13OS.C17H24F2O6.C15H22F2O4/c1-22(27,28)20(29)32-14-24-6-18-3-19(7-24)11-26(10-18,13-24)34-21(30)33-15-23-4-16-2-17(5-23)9-25(31,8-16)12-23;1-20(23,24)18(25)29-10-21-5-11-2-12(6-21)8-22(7-11,9-21)31-19(26)30-16-13-3-14-15(4-13)33(27,28)32-17(14)16;1-3-19(10-26-11-19)12-28-17(25)29-21-7-14-4-15(8-21)6-20(5-14,9-21)13-27-16(24)18(2,22)23;1-16(19,20)14(21)25-10-17-3-11-2-12(4-17)6-18(5-11,9-17)26-15(22)24-8-13-7-23-13;6*1-2-8-14(9-3-1)20-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)20;1-15(18,19)13(20)23-2-3-24-14(21)25-10-16-5-11-4-12(6-16)8-17(22,7-11)9-16;1-13(16,17)8-20-12(18)21-9-14-3-10-2-11(4-14)6-15(19,5-10)7-14/h16-19,31H,2-15H2,1H3;11-17H,2-10H2,1H3;14-15H,3-13H2,1-2H3;11-13H,2-10H2,1H3;6*1-13H;11-12,22H,2-10H2,1H3;10-11,19H,2-9H2,1H3/q;;;;6*+1;;
InChIKeyACEYBBFLHFACLH-UHFFFAOYSA-N
MW4094.84 g/mol
LogP50.49
Rot. Bonds40

About 2,2-difluoropropyl (3-hydroxy-1-adamantyl)methyl carbonate;[3-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(3-ethyloxetan-3-yl)methoxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(3-hydroxy-1-adamantyl)methoxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;2-[(3-hydroxy-1-adamantyl)methoxycarbonyloxy]ethyl 2,2-difluoropropanoate;[3-(oxiran-2-ylmethoxycarbonyloxy)-1-adamantyl]methyl 2,2-difluoropropanoate;hexakis(10-phenylphenoxathiin-10-ium)

2,2-difluoropropyl (3-hydroxy-1-adamantyl)methyl carbonate;[3-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(3-ethyloxetan-3-yl)methoxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(3-hydroxy-1-adamantyl)methoxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;2-[(3-hydroxy-1-adamantyl)methoxycarbonyloxy]ethyl 2,2-difluoropropanoate;[3-(oxiran-2-ylmethoxycarbonyloxy)-1-adamantyl]methyl 2,2-difluoropropanoate;hexakis(10-phenylphenoxathiin-10-ium) (PubChem CID 157068979) has the molecular formula C227H242F12O42S7+6 and a molecular weight of 4094.84 g/mol. Its IUPAC name is 2,2-difluoropropyl (3-hydroxy-1-adamantyl)methyl carbonate;[3-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(3-ethyloxetan-3-yl)methoxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(3-hydroxy-1-adamantyl)methoxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;2-[(3-hydroxy-1-adamantyl)methoxycarbonyloxy]ethyl 2,2-difluoropropanoate;[3-(oxiran-2-ylmethoxycarbonyloxy)-1-adamantyl]methyl 2,2-difluoropropanoate;hexakis(10-phenylphenoxathiin-10-ium).

Molecular Properties

Compound Name2,2-difluoropropyl (3-hydroxy-1-adamantyl)methyl carbonate;[3-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(3-ethyloxetan-3-yl)methoxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(3-hydroxy-1-adamantyl)methoxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;2-[(3-hydroxy-1-adamantyl)methoxycarbonyloxy]ethyl 2,2-difluoropropanoate;[3-(oxiran-2-ylmethoxycarbonyloxy)-1-adamantyl]methyl 2,2-difluoropropanoate;hexakis(10-phenylphenoxathiin-10-ium)
PubChem CID157068979
Molecular FormulaC227H242F12O42S7+6
Molecular Weight4094.84 g/mol
Exact Mass4091.46
IUPAC Name2,2-difluoropropyl (3-hydroxy-1-adamantyl)methyl carbonate;[3-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(3-ethyloxetan-3-yl)methoxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(3-hydroxy-1-adamantyl)methoxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;2-[(3-hydroxy-1-adamantyl)methoxycarbonyloxy]ethyl 2,2-difluoropropanoate;[3-(oxiran-2-ylmethoxycarbonyloxy)-1-adamantyl]methyl 2,2-difluoropropanoate;hexakis(10-phenylphenoxathiin-10-ium)
SMILESCC(F)(F)C(=O)OCC12CC3CC(C1)CC(OC(=O)OC1C4CC5C1OS(=O)(=O)C5C4)(C3)C2.CC(F)(F)C(=O)OCC12CC3CC(C1)CC(OC(=O)OCC14CC5CC(CC(O)(C5)C1)C4)(C3)C2.CC(F)(F)C(=O)OCC12CC3CC(C1)CC(OC(=O)OCC1CO1)(C3)C2.CC(F)(F)C(=O)OCCOC(=O)OCC12CC3CC(CC(O)(C3)C1)C2.CC(F)(F)COC(=O)OCC12CC3CC(CC(O)(C3)C1)C2.CCC1(COC(=O)OC23CC4CC(CC(COC(=O)C(C)(F)F)(C4)C2)C3)COC1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C26H36F2O6.C22H28F2O8S.C21H30F2O6.C18H24F2O6.6C18H13OS.C17H24F2O6.C15H22F2O4/c1-22(27,28)20(29)32-14-24-6-18-3-19(7-24)11-26(10-18,13-24)34-21(30)33-15-23-4-16-2-17(5-23)9-25(31,8-16)12-23;1-20(23,24)18(25)29-10-21-5-11-2-12(6-21)8-22(7-11,9-21)31-19(26)30-16-13-3-14-15(4-13)33(27,28)32-17(14)16;1-3-19(10-26-11-19)12-28-17(25)29-21-7-14-4-15(8-21)6-20(5-14,9-21)13-27-16(24)18(2,22)23;1-16(19,20)14(21)25-10-17-3-11-2-12(4-17)6-18(5-11,9-17)26-15(22)24-8-13-7-23-13;6*1-2-8-14(9-3-1)20-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)20;1-15(18,19)13(20)23-2-3-24-14(21)25-10-16-5-11-4-12(6-16)8-17(22,7-11)9-16;1-13(16,17)8-20-12(18)21-9-14-3-10-2-11(4-14)6-15(19,5-10)7-14/h16-19,31H,2-15H2,1H3;11-17H,2-10H2,1H3;14-15H,3-13H2,1-2H3;11-13H,2-10H2,1H3;6*1-13H;11-12,22H,2-10H2,1H3;10-11,19H,2-9H2,1H3/q;;;;6*+1;;
InChIKeyACEYBBFLHFACLH-UHFFFAOYSA-N
XLogP50.49
TPSA525.88 Ų
H-Bond Donors3
H-Bond Acceptors42
Rotatable Bonds40
Heavy Atoms288
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004094.84
LogP ≤ 550.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1042

Analyze 2,2-difluoropropyl (3-hydroxy-1-adamantyl)methyl carbonate;[3-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(3-ethyloxetan-3-yl)methoxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(3-hydroxy-1-adamantyl)methoxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;2-[(3-hydroxy-1-adamantyl)methoxycarbonyloxy]ethyl 2,2-difluoropropanoate;[3-(oxiran-2-ylmethoxycarbonyloxy)-1-adamantyl]methyl 2,2-difluoropropanoate;hexakis(10-phenylphenoxathiin-10-ium) with MolForge

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Related Compounds

2,2-difluoropropyl (2-ethyl-2-adamantyl) carbonate;2,2-difluoropropyl (3-hydroxy-1-adamantyl) carbonate;2,2-difluoropropyl (5-hydroxy-2-adamantyl) carbonate;2,2-difluoropropyl (2-methyl-2-adamantyl) carbonate;[3-[(2-ethyl-2-adamantyl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(2-methyl-2-adamantyl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;phenyliodanuidylbenzene
CID 159803086
[3-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate
CID 70661109
2,2-difluoropropyl 3-[(3-hydroxy-1-adamantyl)methoxycarbonyloxy]adamantane-1-carboxylate
CID 157260819
1-adamantylmethyl 2,2-difluoropropanoate;cyclohexylmethyl 2,2-difluoropropanoate;(3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;methyl 2,2-difluoropropanoate;[3-(4-methylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 2,2-difluoropropanoate;10-phenylphenoxathiin-10-ium;bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);pentakis(triphenylsulfanium)
CID 159055397
bis([4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);(3-hydroxy-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;[4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis([4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);tris((4-oxo-1-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate
CID 159762765
bis([4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);ethane;(3-hydroxy-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;[4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis([4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);tris((4-oxo-1-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate
CID 158580997
1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) butanedioate;4-O-(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate
CID 91417654
[3-(1-methylpiperidin-4-yl)oxycarbonyloxy-1-adamantyl]methyl 2,2-difluoropropanoate
CID 58571492
1-adamantylmethyl 2,2-difluoropropanoate;bis(4-tert-butylphenyl)-phenylsulfanium;(4-tert-butylphenyl)-diphenylsulfanium;(3-hydroxy-1-adamantyl) 2,2-difluoropropanoate;tris((3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate);bis((4-oxo-1-adamantyl) 2,2-difluoropropanoate);tris(triphenylsulfanium);bis(tris(4-methylphenyl)sulfanium)
CID 159720488
1-adamantylmethyl 2,2-difluoropropanoate;(4-tert-butylphenyl)-diphenylsulfanium;tris((3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate);bis(triphenylsulfanium);tris(4-methylphenyl)sulfanium
CID 157198823
[3-(2,2-difluoropropanoyloxymethyl)-1-adamantyl] 2,2,4,4,4-pentafluorobutanoate
CID 89088258
1-adamantylmethyl 2,2-difluoropropanoate;bis(1-(4-tert-butylphenyl)thian-1-ium);cyclohexylmethyl 2,2-difluoropropanoate;bis((3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate);[3-(4-methylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;pentakis(1-phenylthian-1-ium)
CID 159718716

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoropropyl (3-hydroxy-1-adamantyl)methyl carbonate;[3-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(3-ethyloxetan-3-yl)methoxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(3-hydroxy-1-adamantyl)methoxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;2-[(3-hydroxy-1-adamantyl)methoxycarbonyloxy]ethyl 2,2-difluoropropanoate;[3-(oxiran-2-ylmethoxycarbonyloxy)-1-adamantyl]methyl 2,2-difluoropropanoate;hexakis(10-phenylphenoxathiin-10-ium)?
The IUPAC name of 2,2-difluoropropyl (3-hydroxy-1-adamantyl)methyl carbonate;[3-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(3-ethyloxetan-3-yl)methoxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(3-hydroxy-1-adamantyl)methoxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;2-[(3-hydroxy-1-adamantyl)methoxycarbonyloxy]ethyl 2,2-difluoropropanoate;[3-(oxiran-2-ylmethoxycarbonyloxy)-1-adamantyl]methyl 2,2-difluoropropanoate;hexakis(10-phenylphenoxathiin-10-ium) (CID 157068979) is 2,2-difluoropropyl (3-hydroxy-1-adamantyl)methyl carbonate;[3-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(3-ethyloxetan-3-yl)methoxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(3-hydroxy-1-adamantyl)methoxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;2-[(3-hydroxy-1-adamantyl)methoxycarbonyloxy]ethyl 2,2-difluoropropanoate;[3-(oxiran-2-ylmethoxycarbonyloxy)-1-adamantyl]methyl 2,2-difluoropropanoate;hexakis(10-phenylphenoxathiin-10-ium).
What is the SMILES notation for 2,2-difluoropropyl (3-hydroxy-1-adamantyl)methyl carbonate;[3-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(3-ethyloxetan-3-yl)methoxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(3-hydroxy-1-adamantyl)methoxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;2-[(3-hydroxy-1-adamantyl)methoxycarbonyloxy]ethyl 2,2-difluoropropanoate;[3-(oxiran-2-ylmethoxycarbonyloxy)-1-adamantyl]methyl 2,2-difluoropropanoate;hexakis(10-phenylphenoxathiin-10-ium)?
The canonical SMILES for 2,2-difluoropropyl (3-hydroxy-1-adamantyl)methyl carbonate;[3-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(3-ethyloxetan-3-yl)methoxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(3-hydroxy-1-adamantyl)methoxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;2-[(3-hydroxy-1-adamantyl)methoxycarbonyloxy]ethyl 2,2-difluoropropanoate;[3-(oxiran-2-ylmethoxycarbonyloxy)-1-adamantyl]methyl 2,2-difluoropropanoate;hexakis(10-phenylphenoxathiin-10-ium) is CC(F)(F)C(=O)OCC12CC3CC(C1)CC(OC(=O)OC1C4CC5C1OS(=O)(=O)C5C4)(C3)C2.CC(F)(F)C(=O)OCC12CC3CC(C1)CC(OC(=O)OCC14CC5CC(CC(O)(C5)C1)C4)(C3)C2.CC(F)(F)C(=O)OCC12CC3CC(C1)CC(OC(=O)OCC1CO1)(C3)C2.CC(F)(F)C(=O)OCCOC(=O)OCC12CC3CC(CC(O)(C3)C1)C2.CC(F)(F)COC(=O)OCC12CC3CC(CC(O)(C3)C1)C2.CCC1(COC(=O)OC23CC4CC(CC(COC(=O)C(C)(F)F)(C4)C2)C3)COC1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of 2,2-difluoropropyl (3-hydroxy-1-adamantyl)methyl carbonate;[3-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(3-ethyloxetan-3-yl)methoxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(3-hydroxy-1-adamantyl)methoxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;2-[(3-hydroxy-1-adamantyl)methoxycarbonyloxy]ethyl 2,2-difluoropropanoate;[3-(oxiran-2-ylmethoxycarbonyloxy)-1-adamantyl]methyl 2,2-difluoropropanoate;hexakis(10-phenylphenoxathiin-10-ium)?
The InChIKey is ACEYBBFLHFACLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36F2O6.C22H28F2O8S.C21H30F2O6.C18H24F2O6.6C18H13OS.C17H24F2O6.C15H22F2O4/c1-22(27,28)20(29)32-14-24-6-18-3-19(7-24)11-26(10-18,13-24)34-21(30)33-15-23-4-16-2-17(5-23)9-25(31,8-16)12-23;1-20(23,24)18(25)29-10-21-5-11-2-12(6-21)8-22(7-11,9-21)31-19(26)30-16-13-3-14-15(4-13)33(27,28)32-17(14)16;1-3-19(10-26-11-19)12-28-17(25)29-21-7-14-4-15(8-21)6-20(5-14,9-21)13-27-16(24)18(2,22)23;1-16(19,20)14(21)25-10-17-3-11-2-12(4-17)6-18(5-11,9-17)26-15(22)24-8-13-7-23-13;6*1-2-8-14(9-3-1)20-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)20;1-15(18,19)13(20)23-2-3-24-14(21)25-10-16-5-11-4-12(6-16)8-17(22,7-11)9-16;1-13(16,17)8-20-12(18)21-9-14-3-10-2-11(4-14)6-15(19,5-10)7-14/h16-19,31H,2-15H2,1H3;11-17H,2-10H2,1H3;14-15H,3-13H2,1-2H3;11-13H,2-10H2,1H3;6*1-13H;11-12,22H,2-10H2,1H3;10-11,19H,2-9H2,1H3/q;;;;6*+1;;.
What are the key properties of 2,2-difluoropropyl (3-hydroxy-1-adamantyl)methyl carbonate;[3-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(3-ethyloxetan-3-yl)methoxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(3-hydroxy-1-adamantyl)methoxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;2-[(3-hydroxy-1-adamantyl)methoxycarbonyloxy]ethyl 2,2-difluoropropanoate;[3-(oxiran-2-ylmethoxycarbonyloxy)-1-adamantyl]methyl 2,2-difluoropropanoate;hexakis(10-phenylphenoxathiin-10-ium)?
2,2-difluoropropyl (3-hydroxy-1-adamantyl)methyl carbonate;[3-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(3-ethyloxetan-3-yl)methoxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(3-hydroxy-1-adamantyl)methoxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;2-[(3-hydroxy-1-adamantyl)methoxycarbonyloxy]ethyl 2,2-difluoropropanoate;[3-(oxiran-2-ylmethoxycarbonyloxy)-1-adamantyl]methyl 2,2-difluoropropanoate;hexakis(10-phenylphenoxathiin-10-ium) has a molecular weight of 4094.84 g/mol, XLogP of 50.49, 40 rotatable bonds, 3 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoropropyl (3-hydroxy-1-adamantyl)methyl carbonate;[3-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(3-ethyloxetan-3-yl)methoxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(3-hydroxy-1-adamantyl)methoxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;2-[(3-hydroxy-1-adamantyl)methoxycarbonyloxy]ethyl 2,2-difluoropropanoate;[3-(oxiran-2-ylmethoxycarbonyloxy)-1-adamantyl]methyl 2,2-difluoropropanoate;hexakis(10-phenylphenoxathiin-10-ium) is sourced from PubChem (CID 157068979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).