2-(1-adamantyl)ethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-adamantylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclobutyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3,5-dimethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-ethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3,5,7-trimethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate

C108H146F16O40S8-8 — CID 160821317

IUPAC2-(1-adamantyl)ethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-adamantylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclobutyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3,5-dimethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-ethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3,5,7-trimethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate
SMILESCC12CC3(C)CC(C)(C1)CC(COC(=O)C(F)(F)SOO[O-])(C2)C3.CC12CC3CC(C)(C1)CC(COC(=O)C(F)(F)SOO[O-])(C3)C2.CC12CC3CC(C1)CC(COC(=O)C(F)(F)SOO[O-])(C3)C2.CCC12CC3CC(C1)CC(COC(=O)C(F)(F)SOO[O-])(C3)C2.O=C(OC1CCC1)C(F)(F)SOO[O-].O=C(OCC1C2CC3CC(C2)CC1C3)C(F)(F)SOO[O-].O=C(OCC1CC2CC1C1C3CCC(C3)C21)C(F)(F)SOO[O-].O=C(OCCC12CC3CC(CC(C3)C1)C2)C(F)(F)SOO[O-]
InChIInChI=1S/C16H24F2O5S.C15H20F2O5S.2C15H22F2O5S.2C14H20F2O5S.C13H18F2O5S.C6H8F2O5S/c1-12-4-13(2)6-14(3,5-12)9-15(7-12,8-13)10-21-11(19)16(17,18)24-23-22-20;16-15(17,23-22-21-19)14(18)20-6-10-4-9-5-11(10)13-8-2-1-7(3-8)12(9)13;1-12-3-10-4-13(2,6-12)8-14(5-10,7-12)9-20-11(18)15(16,17)23-22-21-19;1-2-13-4-10-3-11(5-13)7-14(6-10,8-13)9-20-12(18)15(16,17)23-22-21-19;1-12-3-9-2-10(4-12)6-13(5-9,7-12)8-19-11(17)14(15,16)22-21-20-18;15-14(16,22-21-20-18)12(17)19-2-1-13-6-9-3-10(7-13)5-11(4-9)8-13;14-13(15,21-20-19-17)12(16)18-6-11-9-2-7-1-8(4-9)5-10(11)3-7;7-6(8,14-13-12-10)5(9)11-4-2-1-3-4/h20H,4-10H2,1-3H3;7-13,19H,1-6H2;10,19H,3-9H2,1-2H3;10-11,19H,2-9H2,1H3;9-10,18H,2-8H2,1H3;9-11,18H,1-8H2;7-11,17H,1-6H2;4,10H,1-3H2/p-8
InChIKeySFOXWRYESSBBCJ-UHFFFAOYSA-F
MW2644.82 g/mol
LogP19.49
Rot. Bonds49

About 2-(1-adamantyl)ethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-adamantylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclobutyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3,5-dimethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-ethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3,5,7-trimethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate

2-(1-adamantyl)ethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-adamantylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclobutyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3,5-dimethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-ethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3,5,7-trimethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate (PubChem CID 160821317) has the molecular formula C108H146F16O40S8-8 and a molecular weight of 2644.82 g/mol. Its IUPAC name is 2-(1-adamantyl)ethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-adamantylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclobutyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3,5-dimethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-ethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3,5,7-trimethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate.

Molecular Properties

Compound Name2-(1-adamantyl)ethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-adamantylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclobutyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3,5-dimethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-ethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3,5,7-trimethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate
PubChem CID160821317
Molecular FormulaC108H146F16O40S8-8
Molecular Weight2644.82 g/mol
Exact Mass2642.69
IUPAC Name2-(1-adamantyl)ethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-adamantylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclobutyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3,5-dimethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-ethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3,5,7-trimethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate
SMILESCC12CC3(C)CC(C)(C1)CC(COC(=O)C(F)(F)SOO[O-])(C2)C3.CC12CC3CC(C)(C1)CC(COC(=O)C(F)(F)SOO[O-])(C3)C2.CC12CC3CC(C1)CC(COC(=O)C(F)(F)SOO[O-])(C3)C2.CCC12CC3CC(C1)CC(COC(=O)C(F)(F)SOO[O-])(C3)C2.O=C(OC1CCC1)C(F)(F)SOO[O-].O=C(OCC1C2CC3CC(C2)CC1C3)C(F)(F)SOO[O-].O=C(OCC1CC2CC1C1C3CCC(C3)C21)C(F)(F)SOO[O-].O=C(OCCC12CC3CC(CC(C3)C1)C2)C(F)(F)SOO[O-]
InChIInChI=1S/C16H24F2O5S.C15H20F2O5S.2C15H22F2O5S.2C14H20F2O5S.C13H18F2O5S.C6H8F2O5S/c1-12-4-13(2)6-14(3,5-12)9-15(7-12,8-13)10-21-11(19)16(17,18)24-23-22-20;16-15(17,23-22-21-19)14(18)20-6-10-4-9-5-11(10)13-8-2-1-7(3-8)12(9)13;1-12-3-10-4-13(2,6-12)8-14(5-10,7-12)9-20-11(18)15(16,17)23-22-21-19;1-2-13-4-10-3-11(5-13)7-14(6-10,8-13)9-20-12(18)15(16,17)23-22-21-19;1-12-3-9-2-10(4-12)6-13(5-9,7-12)8-19-11(17)14(15,16)22-21-20-18;15-14(16,22-21-20-18)12(17)19-2-1-13-6-9-3-10(7-13)5-11(4-9)8-13;14-13(15,21-20-19-17)12(16)18-6-11-9-2-7-1-8(4-9)5-10(11)3-7;7-6(8,14-13-12-10)5(9)11-4-2-1-3-4/h20H,4-10H2,1-3H3;7-13,19H,1-6H2;10,19H,3-9H2,1-2H3;10-11,19H,2-9H2,1H3;9-10,18H,2-8H2,1H3;9-11,18H,1-8H2;7-11,17H,1-6H2;4,10H,1-3H2/p-8
InChIKeySFOXWRYESSBBCJ-UHFFFAOYSA-F
XLogP19.49
TPSA542.56 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds49
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002644.82
LogP ≤ 519.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze 2-(1-adamantyl)ethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-adamantylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclobutyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3,5-dimethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-ethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3,5,7-trimethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate with MolForge

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Related Compounds

[3-[[2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)acetyl]oxymethyl]-1-adamantyl]methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate
CID 59171082
2-(1-adamantyl)ethyl 2,2-difluoropropanoate;1-adamantylmethyl 2,2-difluoropropanoate;2-adamantylmethyl 2,2-difluoropropanoate;2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoropropanoate;cyclododecylmethyl 2,2-difluoropropanoate;cycloheptylmethyl 2,2-difluoropropanoate;4-cyclohexylbutyl 2,2-difluoropropanoate;(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl 2,2-difluoropropanoate;(3-methyl-1-adamantyl)methyl 2,2-difluoropropanoate;(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoropropanoate
CID 162170021
[3-hydroxy-5-(hydroxymethyl)-1-adamantyl]methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate
CID 59547558
1-adamantylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-bicyclo[2.2.1]heptanylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclododecylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cycloheptylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;4-cyclohexylbutyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-cyclohexylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclohexylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;3-cyclohexylpropyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;oxan-2-ylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate
CID 157300247
4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl 2,2-dimethylbutanoate
CID 118041802
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;1-adamantyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-adamantyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;bis(2-bicyclo[2.2.1]heptanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate);cyclobutyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cycloheptyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclohexyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclooctyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclopentyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-methyl-2-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;8-tricyclo[5.2.1.02,6]decanyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate
CID 162170703
1-adamantyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-adamantyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclohexyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;ethane;tris(triphenylsulfanium)
CID 158013971
1-adamantylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone
CID 162241418
[2-(1-adamantylmethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;bis([2-(1-adamantylmethoxy)-2-oxoethyl] 2-fluoro-2-oxidoperoxysulfanylpropanoate);[2-(1-adamantylmethoxy)-2-oxoethyl] 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate;[2-(1-adamantylmethoxy)-2-oxoethyl] 3,3,3-trifluoro-2-oxidoperoxysulfanyl-2-(trifluoromethyl)propanoate;[2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(cyclohexylmethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;methane;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate
CID 159734333
[2-[[3-(hydroxymethyl)-1-adamantyl]methoxy]-2-oxoethyl] 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate
CID 59814175
[3-[[2,2-difluoro-2-(trioxidanylsulfanyl)acetyl]oxymethyl]-1-adamantyl]methyl 4-(hydroxymethyl)cyclohexane-1-carboxylate
CID 59171081
2-[(3,5-dimethyl-1-adamantyl)methoxy]-1,1-difluoro-2-oxoethanesulfonic acid
CID 58021599

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)ethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-adamantylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclobutyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3,5-dimethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-ethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3,5,7-trimethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate?
The IUPAC name of 2-(1-adamantyl)ethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-adamantylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclobutyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3,5-dimethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-ethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3,5,7-trimethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate (CID 160821317) is 2-(1-adamantyl)ethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-adamantylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclobutyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3,5-dimethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-ethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3,5,7-trimethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate.
What is the SMILES notation for 2-(1-adamantyl)ethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-adamantylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclobutyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3,5-dimethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-ethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3,5,7-trimethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate?
The canonical SMILES for 2-(1-adamantyl)ethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-adamantylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclobutyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3,5-dimethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-ethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3,5,7-trimethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate is CC12CC3(C)CC(C)(C1)CC(COC(=O)C(F)(F)SOO[O-])(C2)C3.CC12CC3CC(C)(C1)CC(COC(=O)C(F)(F)SOO[O-])(C3)C2.CC12CC3CC(C1)CC(COC(=O)C(F)(F)SOO[O-])(C3)C2.CCC12CC3CC(C1)CC(COC(=O)C(F)(F)SOO[O-])(C3)C2.O=C(OC1CCC1)C(F)(F)SOO[O-].O=C(OCC1C2CC3CC(C2)CC1C3)C(F)(F)SOO[O-].O=C(OCC1CC2CC1C1C3CCC(C3)C21)C(F)(F)SOO[O-].O=C(OCCC12CC3CC(CC(C3)C1)C2)C(F)(F)SOO[O-].
What is the InChIKey of 2-(1-adamantyl)ethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-adamantylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclobutyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3,5-dimethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-ethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3,5,7-trimethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate?
The InChIKey is SFOXWRYESSBBCJ-UHFFFAOYSA-F. The full InChI is InChI=1S/C16H24F2O5S.C15H20F2O5S.2C15H22F2O5S.2C14H20F2O5S.C13H18F2O5S.C6H8F2O5S/c1-12-4-13(2)6-14(3,5-12)9-15(7-12,8-13)10-21-11(19)16(17,18)24-23-22-20;16-15(17,23-22-21-19)14(18)20-6-10-4-9-5-11(10)13-8-2-1-7(3-8)12(9)13;1-12-3-10-4-13(2,6-12)8-14(5-10,7-12)9-20-11(18)15(16,17)23-22-21-19;1-2-13-4-10-3-11(5-13)7-14(6-10,8-13)9-20-12(18)15(16,17)23-22-21-19;1-12-3-9-2-10(4-12)6-13(5-9,7-12)8-19-11(17)14(15,16)22-21-20-18;15-14(16,22-21-20-18)12(17)19-2-1-13-6-9-3-10(7-13)5-11(4-9)8-13;14-13(15,21-20-19-17)12(16)18-6-11-9-2-7-1-8(4-9)5-10(11)3-7;7-6(8,14-13-12-10)5(9)11-4-2-1-3-4/h20H,4-10H2,1-3H3;7-13,19H,1-6H2;10,19H,3-9H2,1-2H3;10-11,19H,2-9H2,1H3;9-10,18H,2-8H2,1H3;9-11,18H,1-8H2;7-11,17H,1-6H2;4,10H,1-3H2/p-8.
What are the key properties of 2-(1-adamantyl)ethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-adamantylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclobutyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3,5-dimethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-ethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3,5,7-trimethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate?
2-(1-adamantyl)ethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-adamantylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclobutyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3,5-dimethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-ethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3,5,7-trimethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate has a molecular weight of 2644.82 g/mol, XLogP of 19.49, 49 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)ethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-adamantylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;cyclobutyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3,5-dimethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-ethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3-methyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(3,5,7-trimethyl-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate is sourced from PubChem (CID 160821317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).