bis(1-adamantylmethyl 2,2-difluoropropanoate);[4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;1-cyclohexyl-4,4-difluoropentan-3-one;[4-[2-(cyclohexyloxymethoxy)ethyl]phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;[4-[2-(methoxymethoxy)ethyl]phenyl]-diphenylsulfanium;[4-[2-(1-methylcyclohexyl)oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethoxy]phenyl]-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tetrakis(1,1,1,2,2,3,3,4,4-nonafluoropentane);[4-[3-(oxan-2-yloxy)propoxy]phenyl]-diphenylsulfanium

C281H319F48NO25S9+8 — CID 160880694

IUPACbis(1-adamantylmethyl 2,2-difluoropropanoate);[4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;1-cyclohexyl-4,4-difluoropentan-3-one;[4-[2-(cyclohexyloxymethoxy)ethyl]phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;[4-[2-(methoxymethoxy)ethyl]phenyl]-diphenylsulfanium;[4-[2-(1-methylcyclohexyl)oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethoxy]phenyl]-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tetrakis(1,1,1,2,2,3,3,4,4-nonafluoropentane);[4-[3-(oxan-2-yloxy)propoxy]phenyl]-diphenylsulfanium
SMILESCC(C)(C)OC(=O)OCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(F)(F)C(=O)CCC1CCCCC1.CC(F)(F)C(=O)OCC12CC3CC(CC(C3)C1)C2.CC(F)(F)C(=O)OCC12CC3CC(CC(C3)C1)C2.CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCCC1.CC1(OCCc2ccc([S+](c3ccccc3)c3ccccc3)cc2)CCCCC1.COCOCCc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OCC(=O)OC1(C)C2CC3CC(C2)CC1C3.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OCOC1C2CC3CC(C2)CC1C3.c1ccc([S+](c2ccccc2)c2ccc(CCOCOC3CCCCC3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(OCCCOC3CCCCO3)cc2)cc1
InChIInChI=1S/C33H37O3S.C31H35O2S.C27H31O2S.C27H31OS.C26H29O3S.C25H27O4S.C22H23O2S.C22H23OS.2C14H20F2O2.C11H18F2O.C9H13F6NO2S.4C5H3F9/c1-22-14-30(37(28-10-6-4-7-11-28)29-12-8-5-9-13-29)15-23(2)32(22)35-21-31(34)36-33(3)26-17-24-16-25(19-26)20-27(33)18-24;1-21-13-29(34(27-9-5-3-6-10-27)28-11-7-4-8-12-28)14-22(2)30(21)32-20-33-31-25-16-23-15-24(18-25)19-26(31)17-23;1-4-10-24(11-5-1)29-22-28-21-20-23-16-18-27(19-17-23)30(25-12-6-2-7-13-25)26-14-8-3-9-15-26;1-27(20-9-4-10-21-27)28-22-19-23-15-17-26(18-16-23)29(24-11-5-2-6-12-24)25-13-7-3-8-14-25;1-3-10-23(11-4-1)30(24-12-5-2-6-13-24)25-17-15-22(16-18-25)27-20-9-21-29-26-14-7-8-19-28-26;1-25(2,3)29-24(26)28-19-18-27-20-14-16-23(17-15-20)30(21-10-6-4-7-11-21)22-12-8-5-9-13-22;1-23-18-24-17-16-19-12-14-22(15-13-19)25(20-8-4-2-5-9-20)21-10-6-3-7-11-21;1-22(2,3)23-18-14-16-21(17-15-18)24(19-10-6-4-7-11-19)20-12-8-5-9-13-20;2*1-13(15,16)12(17)18-8-14-5-9-2-10(6-14)4-11(3-9)7-14;1-11(12,13)10(14)8-7-9-5-3-2-4-6-9;1-7(10,11)8(12,13)9(14,15)19(17,18)16-5-3-2-4-6-16;4*1-2(6,7)3(8,9)4(10,11)5(12,13)14/h4-15,24-27H,16-21H2,1-3H3;3-14,23-26,31H,15-20H2,1-2H3;2-3,6-9,12-19,24H,1,4-5,10-11,20-22H2;2-3,5-8,11-18H,4,9-10,19-22H2,1H3;1-6,10-13,15-18,26H,7-9,14,19-21H2;4-17H,18-19H2,1-3H3;2-15H,16-18H2,1H3;4-17H,1-3H3;2*9-11H,2-8H2,1H3;9H,2-8H2,1H3;2-6H2,1H3;4*1H3/q8*+1;;;;;;;;
InChIKeySMZKXNWIGVWGOP-UHFFFAOYSA-N
MW5311.13 g/mol
LogP78.89
Rot. Bonds80

About bis(1-adamantylmethyl 2,2-difluoropropanoate);[4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;1-cyclohexyl-4,4-difluoropentan-3-one;[4-[2-(cyclohexyloxymethoxy)ethyl]phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;[4-[2-(methoxymethoxy)ethyl]phenyl]-diphenylsulfanium;[4-[2-(1-methylcyclohexyl)oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethoxy]phenyl]-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tetrakis(1,1,1,2,2,3,3,4,4-nonafluoropentane);[4-[3-(oxan-2-yloxy)propoxy]phenyl]-diphenylsulfanium

bis(1-adamantylmethyl 2,2-difluoropropanoate);[4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;1-cyclohexyl-4,4-difluoropentan-3-one;[4-[2-(cyclohexyloxymethoxy)ethyl]phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;[4-[2-(methoxymethoxy)ethyl]phenyl]-diphenylsulfanium;[4-[2-(1-methylcyclohexyl)oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethoxy]phenyl]-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tetrakis(1,1,1,2,2,3,3,4,4-nonafluoropentane);[4-[3-(oxan-2-yloxy)propoxy]phenyl]-diphenylsulfanium (PubChem CID 160880694) has the molecular formula C281H319F48NO25S9+8 and a molecular weight of 5311.13 g/mol. Its IUPAC name is bis(1-adamantylmethyl 2,2-difluoropropanoate);[4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;1-cyclohexyl-4,4-difluoropentan-3-one;[4-[2-(cyclohexyloxymethoxy)ethyl]phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;[4-[2-(methoxymethoxy)ethyl]phenyl]-diphenylsulfanium;[4-[2-(1-methylcyclohexyl)oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethoxy]phenyl]-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tetrakis(1,1,1,2,2,3,3,4,4-nonafluoropentane);[4-[3-(oxan-2-yloxy)propoxy]phenyl]-diphenylsulfanium.

Molecular Properties

Compound Namebis(1-adamantylmethyl 2,2-difluoropropanoate);[4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;1-cyclohexyl-4,4-difluoropentan-3-one;[4-[2-(cyclohexyloxymethoxy)ethyl]phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;[4-[2-(methoxymethoxy)ethyl]phenyl]-diphenylsulfanium;[4-[2-(1-methylcyclohexyl)oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethoxy]phenyl]-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tetrakis(1,1,1,2,2,3,3,4,4-nonafluoropentane);[4-[3-(oxan-2-yloxy)propoxy]phenyl]-diphenylsulfanium
PubChem CID160880694
Molecular FormulaC281H319F48NO25S9+8
Molecular Weight5311.13 g/mol
Exact Mass5307.04
IUPAC Namebis(1-adamantylmethyl 2,2-difluoropropanoate);[4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;1-cyclohexyl-4,4-difluoropentan-3-one;[4-[2-(cyclohexyloxymethoxy)ethyl]phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;[4-[2-(methoxymethoxy)ethyl]phenyl]-diphenylsulfanium;[4-[2-(1-methylcyclohexyl)oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethoxy]phenyl]-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tetrakis(1,1,1,2,2,3,3,4,4-nonafluoropentane);[4-[3-(oxan-2-yloxy)propoxy]phenyl]-diphenylsulfanium
SMILESCC(C)(C)OC(=O)OCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(F)(F)C(=O)CCC1CCCCC1.CC(F)(F)C(=O)OCC12CC3CC(CC(C3)C1)C2.CC(F)(F)C(=O)OCC12CC3CC(CC(C3)C1)C2.CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCCC1.CC1(OCCc2ccc([S+](c3ccccc3)c3ccccc3)cc2)CCCCC1.COCOCCc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OCC(=O)OC1(C)C2CC3CC(C2)CC1C3.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OCOC1C2CC3CC(C2)CC1C3.c1ccc([S+](c2ccccc2)c2ccc(CCOCOC3CCCCC3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(OCCCOC3CCCCO3)cc2)cc1
InChIInChI=1S/C33H37O3S.C31H35O2S.C27H31O2S.C27H31OS.C26H29O3S.C25H27O4S.C22H23O2S.C22H23OS.2C14H20F2O2.C11H18F2O.C9H13F6NO2S.4C5H3F9/c1-22-14-30(37(28-10-6-4-7-11-28)29-12-8-5-9-13-29)15-23(2)32(22)35-21-31(34)36-33(3)26-17-24-16-25(19-26)20-27(33)18-24;1-21-13-29(34(27-9-5-3-6-10-27)28-11-7-4-8-12-28)14-22(2)30(21)32-20-33-31-25-16-23-15-24(18-25)19-26(31)17-23;1-4-10-24(11-5-1)29-22-28-21-20-23-16-18-27(19-17-23)30(25-12-6-2-7-13-25)26-14-8-3-9-15-26;1-27(20-9-4-10-21-27)28-22-19-23-15-17-26(18-16-23)29(24-11-5-2-6-12-24)25-13-7-3-8-14-25;1-3-10-23(11-4-1)30(24-12-5-2-6-13-24)25-17-15-22(16-18-25)27-20-9-21-29-26-14-7-8-19-28-26;1-25(2,3)29-24(26)28-19-18-27-20-14-16-23(17-15-20)30(21-10-6-4-7-11-21)22-12-8-5-9-13-22;1-23-18-24-17-16-19-12-14-22(15-13-19)25(20-8-4-2-5-9-20)21-10-6-3-7-11-21;1-22(2,3)23-18-14-16-21(17-15-18)24(19-10-6-4-7-11-19)20-12-8-5-9-13-20;2*1-13(15,16)12(17)18-8-14-5-9-2-10(6-14)4-11(3-9)7-14;1-11(12,13)10(14)8-7-9-5-3-2-4-6-9;1-7(10,11)8(12,13)9(14,15)19(17,18)16-5-3-2-4-6-16;4*1-2(6,7)3(8,9)4(10,11)5(12,13)14/h4-15,24-27H,16-21H2,1-3H3;3-14,23-26,31H,15-20H2,1-2H3;2-3,6-9,12-19,24H,1,4-5,10-11,20-22H2;2-3,5-8,11-18H,4,9-10,19-22H2,1H3;1-6,10-13,15-18,26H,7-9,14,19-21H2;4-17H,18-19H2,1-3H3;2-15H,16-18H2,1H3;4-17H,1-3H3;2*9-11H,2-8H2,1H3;9H,2-8H2,1H3;2-6H2,1H3;4*1H3/q8*+1;;;;;;;;
InChIKeySMZKXNWIGVWGOP-UHFFFAOYSA-N
XLogP78.89
TPSA288.87 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds80
Heavy Atoms364
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005311.13
LogP ≤ 578.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze bis(1-adamantylmethyl 2,2-difluoropropanoate);[4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;1-cyclohexyl-4,4-difluoropentan-3-one;[4-[2-(cyclohexyloxymethoxy)ethyl]phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;[4-[2-(methoxymethoxy)ethyl]phenyl]-diphenylsulfanium;[4-[2-(1-methylcyclohexyl)oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethoxy]phenyl]-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tetrakis(1,1,1,2,2,3,3,4,4-nonafluoropentane);[4-[3-(oxan-2-yloxy)propoxy]phenyl]-diphenylsulfanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of bis(1-adamantylmethyl 2,2-difluoropropanoate);[4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;1-cyclohexyl-4,4-difluoropentan-3-one;[4-[2-(cyclohexyloxymethoxy)ethyl]phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;[4-[2-(methoxymethoxy)ethyl]phenyl]-diphenylsulfanium;[4-[2-(1-methylcyclohexyl)oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethoxy]phenyl]-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tetrakis(1,1,1,2,2,3,3,4,4-nonafluoropentane);[4-[3-(oxan-2-yloxy)propoxy]phenyl]-diphenylsulfanium?
The IUPAC name of bis(1-adamantylmethyl 2,2-difluoropropanoate);[4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;1-cyclohexyl-4,4-difluoropentan-3-one;[4-[2-(cyclohexyloxymethoxy)ethyl]phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;[4-[2-(methoxymethoxy)ethyl]phenyl]-diphenylsulfanium;[4-[2-(1-methylcyclohexyl)oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethoxy]phenyl]-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tetrakis(1,1,1,2,2,3,3,4,4-nonafluoropentane);[4-[3-(oxan-2-yloxy)propoxy]phenyl]-diphenylsulfanium (CID 160880694) is bis(1-adamantylmethyl 2,2-difluoropropanoate);[4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;1-cyclohexyl-4,4-difluoropentan-3-one;[4-[2-(cyclohexyloxymethoxy)ethyl]phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;[4-[2-(methoxymethoxy)ethyl]phenyl]-diphenylsulfanium;[4-[2-(1-methylcyclohexyl)oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethoxy]phenyl]-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tetrakis(1,1,1,2,2,3,3,4,4-nonafluoropentane);[4-[3-(oxan-2-yloxy)propoxy]phenyl]-diphenylsulfanium.
What is the SMILES notation for bis(1-adamantylmethyl 2,2-difluoropropanoate);[4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;1-cyclohexyl-4,4-difluoropentan-3-one;[4-[2-(cyclohexyloxymethoxy)ethyl]phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;[4-[2-(methoxymethoxy)ethyl]phenyl]-diphenylsulfanium;[4-[2-(1-methylcyclohexyl)oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethoxy]phenyl]-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tetrakis(1,1,1,2,2,3,3,4,4-nonafluoropentane);[4-[3-(oxan-2-yloxy)propoxy]phenyl]-diphenylsulfanium?
The canonical SMILES for bis(1-adamantylmethyl 2,2-difluoropropanoate);[4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;1-cyclohexyl-4,4-difluoropentan-3-one;[4-[2-(cyclohexyloxymethoxy)ethyl]phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;[4-[2-(methoxymethoxy)ethyl]phenyl]-diphenylsulfanium;[4-[2-(1-methylcyclohexyl)oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethoxy]phenyl]-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tetrakis(1,1,1,2,2,3,3,4,4-nonafluoropentane);[4-[3-(oxan-2-yloxy)propoxy]phenyl]-diphenylsulfanium is CC(C)(C)OC(=O)OCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(F)(F)C(=O)CCC1CCCCC1.CC(F)(F)C(=O)OCC12CC3CC(CC(C3)C1)C2.CC(F)(F)C(=O)OCC12CC3CC(CC(C3)C1)C2.CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCCC1.CC1(OCCc2ccc([S+](c3ccccc3)c3ccccc3)cc2)CCCCC1.COCOCCc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OCC(=O)OC1(C)C2CC3CC(C2)CC1C3.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OCOC1C2CC3CC(C2)CC1C3.c1ccc([S+](c2ccccc2)c2ccc(CCOCOC3CCCCC3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(OCCCOC3CCCCO3)cc2)cc1.
What is the InChIKey of bis(1-adamantylmethyl 2,2-difluoropropanoate);[4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;1-cyclohexyl-4,4-difluoropentan-3-one;[4-[2-(cyclohexyloxymethoxy)ethyl]phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;[4-[2-(methoxymethoxy)ethyl]phenyl]-diphenylsulfanium;[4-[2-(1-methylcyclohexyl)oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethoxy]phenyl]-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tetrakis(1,1,1,2,2,3,3,4,4-nonafluoropentane);[4-[3-(oxan-2-yloxy)propoxy]phenyl]-diphenylsulfanium?
The InChIKey is SMZKXNWIGVWGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37O3S.C31H35O2S.C27H31O2S.C27H31OS.C26H29O3S.C25H27O4S.C22H23O2S.C22H23OS.2C14H20F2O2.C11H18F2O.C9H13F6NO2S.4C5H3F9/c1-22-14-30(37(28-10-6-4-7-11-28)29-12-8-5-9-13-29)15-23(2)32(22)35-21-31(34)36-33(3)26-17-24-16-25(19-26)20-27(33)18-24;1-21-13-29(34(27-9-5-3-6-10-27)28-11-7-4-8-12-28)14-22(2)30(21)32-20-33-31-25-16-23-15-24(18-25)19-26(31)17-23;1-4-10-24(11-5-1)29-22-28-21-20-23-16-18-27(19-17-23)30(25-12-6-2-7-13-25)26-14-8-3-9-15-26;1-27(20-9-4-10-21-27)28-22-19-23-15-17-26(18-16-23)29(24-11-5-2-6-12-24)25-13-7-3-8-14-25;1-3-10-23(11-4-1)30(24-12-5-2-6-13-24)25-17-15-22(16-18-25)27-20-9-21-29-26-14-7-8-19-28-26;1-25(2,3)29-24(26)28-19-18-27-20-14-16-23(17-15-20)30(21-10-6-4-7-11-21)22-12-8-5-9-13-22;1-23-18-24-17-16-19-12-14-22(15-13-19)25(20-8-4-2-5-9-20)21-10-6-3-7-11-21;1-22(2,3)23-18-14-16-21(17-15-18)24(19-10-6-4-7-11-19)20-12-8-5-9-13-20;2*1-13(15,16)12(17)18-8-14-5-9-2-10(6-14)4-11(3-9)7-14;1-11(12,13)10(14)8-7-9-5-3-2-4-6-9;1-7(10,11)8(12,13)9(14,15)19(17,18)16-5-3-2-4-6-16;4*1-2(6,7)3(8,9)4(10,11)5(12,13)14/h4-15,24-27H,16-21H2,1-3H3;3-14,23-26,31H,15-20H2,1-2H3;2-3,6-9,12-19,24H,1,4-5,10-11,20-22H2;2-3,5-8,11-18H,4,9-10,19-22H2,1H3;1-6,10-13,15-18,26H,7-9,14,19-21H2;4-17H,18-19H2,1-3H3;2-15H,16-18H2,1H3;4-17H,1-3H3;2*9-11H,2-8H2,1H3;9H,2-8H2,1H3;2-6H2,1H3;4*1H3/q8*+1;;;;;;;;.
What are the key properties of bis(1-adamantylmethyl 2,2-difluoropropanoate);[4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;1-cyclohexyl-4,4-difluoropentan-3-one;[4-[2-(cyclohexyloxymethoxy)ethyl]phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;[4-[2-(methoxymethoxy)ethyl]phenyl]-diphenylsulfanium;[4-[2-(1-methylcyclohexyl)oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethoxy]phenyl]-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tetrakis(1,1,1,2,2,3,3,4,4-nonafluoropentane);[4-[3-(oxan-2-yloxy)propoxy]phenyl]-diphenylsulfanium?
bis(1-adamantylmethyl 2,2-difluoropropanoate);[4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;1-cyclohexyl-4,4-difluoropentan-3-one;[4-[2-(cyclohexyloxymethoxy)ethyl]phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;[4-[2-(methoxymethoxy)ethyl]phenyl]-diphenylsulfanium;[4-[2-(1-methylcyclohexyl)oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethoxy]phenyl]-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tetrakis(1,1,1,2,2,3,3,4,4-nonafluoropentane);[4-[3-(oxan-2-yloxy)propoxy]phenyl]-diphenylsulfanium has a molecular weight of 5311.13 g/mol, XLogP of 78.89, 80 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-adamantylmethyl 2,2-difluoropropanoate);[4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;1-cyclohexyl-4,4-difluoropentan-3-one;[4-[2-(cyclohexyloxymethoxy)ethyl]phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;[4-[2-(methoxymethoxy)ethyl]phenyl]-diphenylsulfanium;[4-[2-(1-methylcyclohexyl)oxyethyl]phenyl]-diphenylsulfanium;[4-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]ethoxy]phenyl]-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tetrakis(1,1,1,2,2,3,3,4,4-nonafluoropentane);[4-[3-(oxan-2-yloxy)propoxy]phenyl]-diphenylsulfanium is sourced from PubChem (CID 160880694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).