[2-[4-(1-adamantyl)phenoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-naphthalen-2-ylethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(naphthalen-2-ylmethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-naphthalen-2-yloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-phenoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(2-phenylethoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-phenylmethoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(4-phenylphenoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(3-phenylpropoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate

C127H105F18O63S9-9 — CID 157310125

About [2-[4-(1-adamantyl)phenoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-naphthalen-2-ylethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(naphthalen-2-ylmethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-naphthalen-2-yloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-phenoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(2-phenylethoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-phenylmethoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(4-phenylphenoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(3-phenylpropoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate

[2-[4-(1-adamantyl)phenoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-naphthalen-2-ylethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(naphthalen-2-ylmethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-naphthalen-2-yloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-phenoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(2-phenylethoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-phenylmethoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(4-phenylphenoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(3-phenylpropoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate (PubChem CID 157310125) has the molecular formula C127H105F18O63S9-9 and a molecular weight of 3269.74 g/mol. Its IUPAC name is [2-[4-(1-adamantyl)phenoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-naphthalen-2-ylethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(naphthalen-2-ylmethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-naphthalen-2-yloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-phenoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(2-phenylethoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-phenylmethoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(4-phenylphenoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(3-phenylpropoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate.

Molecular Properties

• Compound Name: [2-[4-(1-adamantyl)phenoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-naphthalen-2-ylethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(naphthalen-2-ylmethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-naphthalen-2-yloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-phenoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(2-phenylethoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-phenylmethoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(4-phenylphenoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(3-phenylpropoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate
• PubChem CID: 157310125
• Molecular Formula: C127H105F18O63S9-9
• Molecular Weight: 3269.74 g/mol
• Exact Mass: 3267.23
• IUPAC Name: [2-[4-(1-adamantyl)phenoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-naphthalen-2-ylethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(naphthalen-2-ylmethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-naphthalen-2-yloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-phenoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(2-phenylethoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-phenylmethoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(4-phenylphenoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(3-phenylpropoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate
• SMILES: O=C(COC(=O)C(F)(F)SOO[O-])OCCCc1ccccc1.O=C(COC(=O)C(F)(F)SOO[O-])OCCc1ccc2ccccc2c1.O=C(COC(=O)C(F)(F)SOO[O-])OCCc1ccccc1.O=C(COC(=O)C(F)(F)SOO[O-])OCc1ccc2ccccc2c1.O=C(COC(=O)C(F)(F)SOO[O-])OCc1ccccc1.O=C(COC(=O)C(F)(F)SOO[O-])Oc1ccc(-c2ccccc2)cc1.O=C(COC(=O)C(F)(F)SOO[O-])Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1.O=C(COC(=O)C(F)(F)SOO[O-])Oc1ccc2ccccc2c1.O=C(COC(=O)C(F)(F)SOO[O-])Oc1ccccc1
• InChI: InChI=1S/C20H22F2O7S.C16H14F2O7S.C16H12F2O7S.C15H12F2O7S.C14H10F2O7S.C13H14F2O7S.C12H12F2O7S.C11H10F2O7S.C10H8F2O7S/c21-20(22,30-29-28-25)18(24)26-11-17(23)27-16-3-1-15(2-4-16)19-8-12-5-13(9-19)7-14(6-12)10-19;17-16(18,26-25-24-21)15(20)23-10-14(19)22-8-7-11-5-6-12-3-1-2-4-13(12)9-11;17-16(18,26-25-24-21)15(20)22-10-14(19)23-13-8-6-12(7-9-13)11-4-2-1-3-5-11;16-15(17,25-24-23-20)14(19)22-9-13(18)21-8-10-5-6-11-3-1-2-4-12(11)7-10;15-14(16,24-23-22-19)13(18)20-8-12(17)21-11-6-5-9-3-1-2-4-10(9)7-11;14-13(15,23-22-21-18)12(17)20-9-11(16)19-8-4-7-10-5-2-1-3-6-10;13-12(14,22-21-20-17)11(16)19-8-10(15)18-7-6-9-4-2-1-3-5-9;12-11(13,21-20-19-16)10(15)18-7-9(14)17-6-8-4-2-1-3-5-8;11-10(12,20-19-18-15)9(14)16-6-8(13)17-7-4-2-1-3-5-7/h1-4,12-14,25H,5-11H2;1-6,9,21H,7-8,10H2;1-9,21H,10H2;1-7,20H,8-9H2;1-7,19H,8H2;1-3,5-6,18H,4,7-9H2;1-5,17H,6-8H2;1-5,16H,6-7H2;1-5,15H,6H2/p-9
• InChIKey: BCYCFEOKQZIMEF-UHFFFAOYSA-E
• XLogP: 14.20
• TPSA: 847.08 Ų
• H-Bond Acceptors: 72
• Rotatable Bonds: 74
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3269.74
LogP ≤ 5	14.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	72

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[4-(1-adamantyl)phenoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-naphthalen-2-ylethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(naphthalen-2-ylmethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-naphthalen-2-yloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-phenoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(2-phenylethoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-phenylmethoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(4-phenylphenoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(3-phenylpropoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate?

The IUPAC name of [2-[4-(1-adamantyl)phenoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-naphthalen-2-ylethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(naphthalen-2-ylmethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-naphthalen-2-yloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-phenoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(2-phenylethoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-phenylmethoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(4-phenylphenoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(3-phenylpropoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate (CID 157310125) is [2-[4-(1-adamantyl)phenoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-naphthalen-2-ylethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(naphthalen-2-ylmethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-naphthalen-2-yloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-phenoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(2-phenylethoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-phenylmethoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(4-phenylphenoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(3-phenylpropoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate.

What is the SMILES notation for [2-[4-(1-adamantyl)phenoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-naphthalen-2-ylethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(naphthalen-2-ylmethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-naphthalen-2-yloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-phenoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(2-phenylethoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-phenylmethoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(4-phenylphenoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(3-phenylpropoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate?

The canonical SMILES for [2-[4-(1-adamantyl)phenoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-naphthalen-2-ylethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(naphthalen-2-ylmethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-naphthalen-2-yloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-phenoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(2-phenylethoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-phenylmethoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(4-phenylphenoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(3-phenylpropoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate is O=C(COC(=O)C(F)(F)SOO[O-])OCCCc1ccccc1.O=C(COC(=O)C(F)(F)SOO[O-])OCCc1ccc2ccccc2c1.O=C(COC(=O)C(F)(F)SOO[O-])OCCc1ccccc1.O=C(COC(=O)C(F)(F)SOO[O-])OCc1ccc2ccccc2c1.O=C(COC(=O)C(F)(F)SOO[O-])OCc1ccccc1.O=C(COC(=O)C(F)(F)SOO[O-])Oc1ccc(-c2ccccc2)cc1.O=C(COC(=O)C(F)(F)SOO[O-])Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1.O=C(COC(=O)C(F)(F)SOO[O-])Oc1ccc2ccccc2c1.O=C(COC(=O)C(F)(F)SOO[O-])Oc1ccccc1.

What is the InChIKey of [2-[4-(1-adamantyl)phenoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-naphthalen-2-ylethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(naphthalen-2-ylmethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-naphthalen-2-yloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-phenoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(2-phenylethoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-phenylmethoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(4-phenylphenoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(3-phenylpropoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate?

The InChIKey is BCYCFEOKQZIMEF-UHFFFAOYSA-E. The full InChI is InChI=1S/C20H22F2O7S.C16H14F2O7S.C16H12F2O7S.C15H12F2O7S.C14H10F2O7S.C13H14F2O7S.C12H12F2O7S.C11H10F2O7S.C10H8F2O7S/c21-20(22,30-29-28-25)18(24)26-11-17(23)27-16-3-1-15(2-4-16)19-8-12-5-13(9-19)7-14(6-12)10-19;17-16(18,26-25-24-21)15(20)23-10-14(19)22-8-7-11-5-6-12-3-1-2-4-13(12)9-11;17-16(18,26-25-24-21)15(20)22-10-14(19)23-13-8-6-12(7-9-13)11-4-2-1-3-5-11;16-15(17,25-24-23-20)14(19)22-9-13(18)21-8-10-5-6-11-3-1-2-4-12(11)7-10;15-14(16,24-23-22-19)13(18)20-8-12(17)21-11-6-5-9-3-1-2-4-10(9)7-11;14-13(15,23-22-21-18)12(17)20-9-11(16)19-8-4-7-10-5-2-1-3-6-10;13-12(14,22-21-20-17)11(16)19-8-10(15)18-7-6-9-4-2-1-3-5-9;12-11(13,21-20-19-16)10(15)18-7-9(14)17-6-8-4-2-1-3-5-8;11-10(12,20-19-18-15)9(14)16-6-8(13)17-7-4-2-1-3-5-7/h1-4,12-14,25H,5-11H2;1-6,9,21H,7-8,10H2;1-9,21H,10H2;1-7,20H,8-9H2;1-7,19H,8H2;1-3,5-6,18H,4,7-9H2;1-5,17H,6-8H2;1-5,16H,6-7H2;1-5,15H,6H2/p-9.

What are the key properties of [2-[4-(1-adamantyl)phenoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-naphthalen-2-ylethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(naphthalen-2-ylmethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-naphthalen-2-yloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-phenoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(2-phenylethoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-phenylmethoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(4-phenylphenoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(3-phenylpropoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate?

[2-[4-(1-adamantyl)phenoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-naphthalen-2-ylethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(naphthalen-2-ylmethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-naphthalen-2-yloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-phenoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(2-phenylethoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-phenylmethoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(4-phenylphenoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(3-phenylpropoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate has a molecular weight of 3269.74 g/mol, XLogP of 14.20, 74 rotatable bonds, 0 hydrogen bond donors, and 72 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[4-(1-adamantyl)phenoxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(2-naphthalen-2-ylethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-(naphthalen-2-ylmethoxy)-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-naphthalen-2-yloxy-2-oxoethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-phenoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(2-phenylethoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-oxo-2-phenylmethoxyethyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(4-phenylphenoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;[2-oxo-2-(3-phenylpropoxy)ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate is sourced from PubChem (CID 157310125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).