2,2-difluoropropyl 5-(acetyloxymethyl)-5-[(2,2,2-trifluoroacetyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5-(3,3-difluorobutanoyloxymethyl)-5-(3,3,4,4,4-pentafluorobutanoyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5-(propanoyloxymethyl)-5-(3,3,3-trifluoropropanoyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(2,2,2-trifluoroacetyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;tetrakis(tris(4-methylphenyl)sulfanium)

C178H202F24O30S4+4 — CID 157362866

About 2,2-difluoropropyl 5-(acetyloxymethyl)-5-[(2,2,2-trifluoroacetyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5-(3,3-difluorobutanoyloxymethyl)-5-(3,3,4,4,4-pentafluorobutanoyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5-(propanoyloxymethyl)-5-(3,3,3-trifluoropropanoyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(2,2,2-trifluoroacetyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;tetrakis(tris(4-methylphenyl)sulfanium)

2,2-difluoropropyl 5-(acetyloxymethyl)-5-[(2,2,2-trifluoroacetyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5-(3,3-difluorobutanoyloxymethyl)-5-(3,3,4,4,4-pentafluorobutanoyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5-(propanoyloxymethyl)-5-(3,3,3-trifluoropropanoyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(2,2,2-trifluoroacetyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;tetrakis(tris(4-methylphenyl)sulfanium) (PubChem CID 157362866) has the molecular formula C178H202F24O30S4+4 and a molecular weight of 3405.76 g/mol. Its IUPAC name is 2,2-difluoropropyl 5-(acetyloxymethyl)-5-[(2,2,2-trifluoroacetyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5-(3,3-difluorobutanoyloxymethyl)-5-(3,3,4,4,4-pentafluorobutanoyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5-(propanoyloxymethyl)-5-(3,3,3-trifluoropropanoyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(2,2,2-trifluoroacetyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;tetrakis(tris(4-methylphenyl)sulfanium).

Molecular Properties

• Compound Name: 2,2-difluoropropyl 5-(acetyloxymethyl)-5-[(2,2,2-trifluoroacetyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5-(3,3-difluorobutanoyloxymethyl)-5-(3,3,4,4,4-pentafluorobutanoyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5-(propanoyloxymethyl)-5-(3,3,3-trifluoropropanoyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(2,2,2-trifluoroacetyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;tetrakis(tris(4-methylphenyl)sulfanium)
• PubChem CID: 157362866
• Molecular Formula: C178H202F24O30S4+4
• Molecular Weight: 3405.76 g/mol
• Exact Mass: 3403.28
• IUPAC Name: 2,2-difluoropropyl 5-(acetyloxymethyl)-5-[(2,2,2-trifluoroacetyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5-(3,3-difluorobutanoyloxymethyl)-5-(3,3,4,4,4-pentafluorobutanoyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5-(propanoyloxymethyl)-5-(3,3,3-trifluoropropanoyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(2,2,2-trifluoroacetyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;tetrakis(tris(4-methylphenyl)sulfanium)
• SMILES: CC(=O)OCC1(COC(=O)C(F)(F)F)COC2(OC1)C1CC3CC2CC(C(=O)OCC(C)(F)F)(C3)C1.CC(F)(F)COC(=O)C12CC3CC(C1)C1(OCC(COC(=O)C(F)(F)F)O1)C(C3)C2.CC(F)(F)COC(=O)C12CC3CC(C1)C1(OCC(COC(=O)CC(C)(F)F)(COC(=O)CC(F)(F)C(F)(F)F)CO1)C(C3)C2.CCC(=O)OCC1(COC(=O)CC(F)(F)F)COC2(OC1)C1CC3CC2CC(C(=O)OCC(C)(F)F)(C3)C1.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1
• InChI: InChI=1S/C27H33F9O8.C25H33F5O8.C23H29F5O8.4C21H21S.C19H23F5O6/c1-21(28,29)8-18(37)40-11-23(12-41-19(38)9-25(32,33)27(34,35)36)13-43-26(44-14-23)16-3-15-4-17(26)7-24(5-15,6-16)20(39)42-10-22(2,30)31;1-3-18(31)34-11-22(12-35-19(32)9-24(28,29)30)13-37-25(38-14-22)16-4-15-5-17(25)8-23(6-15,7-16)20(33)36-10-21(2,26)27;1-13(29)32-9-20(10-34-18(31)23(26,27)28)11-35-22(36-12-20)15-3-14-4-16(22)7-21(5-14,6-15)17(30)33-8-19(2,24)25;4*1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;1-16(20,21)9-28-14(25)17-4-10-2-11(5-17)18(12(3-10)6-17)29-8-13(30-18)7-27-15(26)19(22,23)24/h15-17H,3-14H2,1-2H3;15-17H,3-14H2,1-2H3;14-16H,3-12H2,1-2H3;4*4-15H,1-3H3;10-13H,2-9H2,1H3/q;;;4*+1
• InChIKey: BIVOHJAYQWYHHB-UHFFFAOYSA-N
• XLogP: 39.12
• TPSA: 363.14 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 44
• Heavy Atoms: 236
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3405.76
LogP ≤ 5	39.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoropropyl 5-(acetyloxymethyl)-5-[(2,2,2-trifluoroacetyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5-(3,3-difluorobutanoyloxymethyl)-5-(3,3,4,4,4-pentafluorobutanoyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5-(propanoyloxymethyl)-5-(3,3,3-trifluoropropanoyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(2,2,2-trifluoroacetyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;tetrakis(tris(4-methylphenyl)sulfanium)?

The IUPAC name of 2,2-difluoropropyl 5-(acetyloxymethyl)-5-[(2,2,2-trifluoroacetyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5-(3,3-difluorobutanoyloxymethyl)-5-(3,3,4,4,4-pentafluorobutanoyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5-(propanoyloxymethyl)-5-(3,3,3-trifluoropropanoyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(2,2,2-trifluoroacetyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;tetrakis(tris(4-methylphenyl)sulfanium) (CID 157362866) is 2,2-difluoropropyl 5-(acetyloxymethyl)-5-[(2,2,2-trifluoroacetyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5-(3,3-difluorobutanoyloxymethyl)-5-(3,3,4,4,4-pentafluorobutanoyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5-(propanoyloxymethyl)-5-(3,3,3-trifluoropropanoyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(2,2,2-trifluoroacetyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;tetrakis(tris(4-methylphenyl)sulfanium).

What is the SMILES notation for 2,2-difluoropropyl 5-(acetyloxymethyl)-5-[(2,2,2-trifluoroacetyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5-(3,3-difluorobutanoyloxymethyl)-5-(3,3,4,4,4-pentafluorobutanoyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5-(propanoyloxymethyl)-5-(3,3,3-trifluoropropanoyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(2,2,2-trifluoroacetyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;tetrakis(tris(4-methylphenyl)sulfanium)?

The canonical SMILES for 2,2-difluoropropyl 5-(acetyloxymethyl)-5-[(2,2,2-trifluoroacetyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5-(3,3-difluorobutanoyloxymethyl)-5-(3,3,4,4,4-pentafluorobutanoyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5-(propanoyloxymethyl)-5-(3,3,3-trifluoropropanoyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(2,2,2-trifluoroacetyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;tetrakis(tris(4-methylphenyl)sulfanium) is CC(=O)OCC1(COC(=O)C(F)(F)F)COC2(OC1)C1CC3CC2CC(C(=O)OCC(C)(F)F)(C3)C1.CC(F)(F)COC(=O)C12CC3CC(C1)C1(OCC(COC(=O)C(F)(F)F)O1)C(C3)C2.CC(F)(F)COC(=O)C12CC3CC(C1)C1(OCC(COC(=O)CC(C)(F)F)(COC(=O)CC(F)(F)C(F)(F)F)CO1)C(C3)C2.CCC(=O)OCC1(COC(=O)CC(F)(F)F)COC2(OC1)C1CC3CC2CC(C(=O)OCC(C)(F)F)(C3)C1.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.

What is the InChIKey of 2,2-difluoropropyl 5-(acetyloxymethyl)-5-[(2,2,2-trifluoroacetyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5-(3,3-difluorobutanoyloxymethyl)-5-(3,3,4,4,4-pentafluorobutanoyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5-(propanoyloxymethyl)-5-(3,3,3-trifluoropropanoyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(2,2,2-trifluoroacetyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;tetrakis(tris(4-methylphenyl)sulfanium)?

The InChIKey is BIVOHJAYQWYHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33F9O8.C25H33F5O8.C23H29F5O8.4C21H21S.C19H23F5O6/c1-21(28,29)8-18(37)40-11-23(12-41-19(38)9-25(32,33)27(34,35)36)13-43-26(44-14-23)16-3-15-4-17(26)7-24(5-15,6-16)20(39)42-10-22(2,30)31;1-3-18(31)34-11-22(12-35-19(32)9-24(28,29)30)13-37-25(38-14-22)16-4-15-5-17(25)8-23(6-15,7-16)20(33)36-10-21(2,26)27;1-13(29)32-9-20(10-34-18(31)23(26,27)28)11-35-22(36-12-20)15-3-14-4-16(22)7-21(5-14,6-15)17(30)33-8-19(2,24)25;4*1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;1-16(20,21)9-28-14(25)17-4-10-2-11(5-17)18(12(3-10)6-17)29-8-13(30-18)7-27-15(26)19(22,23)24/h15-17H,3-14H2,1-2H3;15-17H,3-14H2,1-2H3;14-16H,3-12H2,1-2H3;4*4-15H,1-3H3;10-13H,2-9H2,1H3/q;;;4*+1;.

What are the key properties of 2,2-difluoropropyl 5-(acetyloxymethyl)-5-[(2,2,2-trifluoroacetyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5-(3,3-difluorobutanoyloxymethyl)-5-(3,3,4,4,4-pentafluorobutanoyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5-(propanoyloxymethyl)-5-(3,3,3-trifluoropropanoyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(2,2,2-trifluoroacetyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;tetrakis(tris(4-methylphenyl)sulfanium)?

2,2-difluoropropyl 5-(acetyloxymethyl)-5-[(2,2,2-trifluoroacetyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5-(3,3-difluorobutanoyloxymethyl)-5-(3,3,4,4,4-pentafluorobutanoyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5-(propanoyloxymethyl)-5-(3,3,3-trifluoropropanoyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(2,2,2-trifluoroacetyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;tetrakis(tris(4-methylphenyl)sulfanium) has a molecular weight of 3405.76 g/mol, XLogP of 39.12, 44 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-difluoropropyl 5-(acetyloxymethyl)-5-[(2,2,2-trifluoroacetyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5-(3,3-difluorobutanoyloxymethyl)-5-(3,3,4,4,4-pentafluorobutanoyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5-(propanoyloxymethyl)-5-(3,3,3-trifluoropropanoyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(2,2,2-trifluoroacetyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;tetrakis(tris(4-methylphenyl)sulfanium) is sourced from PubChem (CID 157362866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).