2,2-difluoropropyl 4-(adamantane-1-carbonyloxymethyl)spiro[1,3-dithiolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;pentakis(triphenylsulfanium)

C269H315F10O39S7+5 — CID 158526388

About 2,2-difluoropropyl 4-(adamantane-1-carbonyloxymethyl)spiro[1,3-dithiolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;pentakis(triphenylsulfanium)

2,2-difluoropropyl 4-(adamantane-1-carbonyloxymethyl)spiro[1,3-dithiolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;pentakis(triphenylsulfanium) (PubChem CID 158526388) has the molecular formula C269H315F10O39S7+5 and a molecular weight of 4586.89 g/mol. Its IUPAC name is 2,2-difluoropropyl 4-(adamantane-1-carbonyloxymethyl)spiro[1,3-dithiolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;pentakis(triphenylsulfanium).

Molecular Properties

• Compound Name: 2,2-difluoropropyl 4-(adamantane-1-carbonyloxymethyl)spiro[1,3-dithiolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;pentakis(triphenylsulfanium)
• PubChem CID: 158526388
• Molecular Formula: C269H315F10O39S7+5
• Molecular Weight: 4586.89 g/mol
• Exact Mass: 4583.05
• IUPAC Name: 2,2-difluoropropyl 4-(adamantane-1-carbonyloxymethyl)spiro[1,3-dithiolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;pentakis(triphenylsulfanium)
• SMILES: CC(F)(F)COC(=O)C12CC3CC(C1)C1(OCC(COC(=O)C45CC6CC(C4)C(=O)C(C6)C5)(COC(=O)C45CC6CC(C4)C(=O)C(C6)C5)CO1)C(C3)C2.CC(F)(F)COC(=O)C12CC3CC(C1)C1(OCC(COC(=O)C45CC6CC(CC(C6)C4)C5)(COC(=O)C45CC6CC(CC(C6)C4)C5)CO1)C(C3)C2.CC(F)(F)COC(=O)C12CC3CC(C1)C1(OCC(COC(=O)C45CC6CC(CC(O)(C6)C4)C5)(COC(=O)C45CC6CC(CC(O)(C6)C4)C5)CO1)C(C3)C2.CC(F)(F)COC(=O)C12CC3CC(C1)C1(OCC(COC(=O)C45CC6CC(CC(O)(C6)C4)C5)O1)C(C3)C2.CC(F)(F)COC(=O)C12CC3CC(C1)C1(SCC(COC(=O)C45CC6CC(CC(C6)C4)C5)S1)C(C3)C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C41H56F2O10.C41H52F2O10.C41H56F2O8.C28H38F2O7.C28H38F2O4S2.5C18H15S/c1-34(42,43)19-49-31(44)36-6-24-4-29(15-36)41(30(5-24)16-36)52-22-35(23-53-41,20-50-32(45)37-7-25-2-26(8-37)12-39(47,11-25)17-37)21-51-33(46)38-9-27-3-28(10-38)14-40(48,13-27)18-38;1-36(42,43)17-49-35(48)40-10-24-6-29(15-40)41(30(7-24)16-40)52-20-37(21-53-41,18-50-33(46)38-8-22-2-25(11-38)31(44)26(3-22)12-38)19-51-34(47)39-9-23-4-27(13-39)32(45)28(5-23)14-39;1-36(42,43)19-47-35(46)40-16-30-8-31(17-40)41(32(9-30)18-40)50-22-37(23-51-41,20-48-33(44)38-10-24-2-25(11-38)4-26(3-24)12-38)21-49-34(45)39-13-27-5-28(14-39)7-29(6-27)15-39;1-24(29,30)15-35-22(31)25-5-16-3-19(10-25)28(20(4-16)11-25)36-13-21(37-28)12-34-23(32)26-6-17-2-18(7-26)9-27(33,8-17)14-26;1-25(29,30)15-34-24(32)27-10-19-5-20(11-27)28(21(6-19)12-27)35-14-22(36-28)13-33-23(31)26-7-16-2-17(8-26)4-18(3-16)9-26;5*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h24-30,47-48H,2-23H2,1H3;22-30H,2-21H2,1H3;24-32H,2-23H2,1H3;16-21,33H,2-15H2,1H3;16-22H,2-15H2,1H3;5*1-15H/q;;;;;5*+1
• InChIKey: HMVJMPNUVPKSKM-UHFFFAOYSA-N
• XLogP: 52.59
• TPSA: 510.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 41
• Rotatable Bonds: 54
• Heavy Atoms: 325
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4586.89
LogP ≤ 5	52.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoropropyl 4-(adamantane-1-carbonyloxymethyl)spiro[1,3-dithiolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;pentakis(triphenylsulfanium)?

The IUPAC name of 2,2-difluoropropyl 4-(adamantane-1-carbonyloxymethyl)spiro[1,3-dithiolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;pentakis(triphenylsulfanium) (CID 158526388) is 2,2-difluoropropyl 4-(adamantane-1-carbonyloxymethyl)spiro[1,3-dithiolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;pentakis(triphenylsulfanium).

What is the SMILES notation for 2,2-difluoropropyl 4-(adamantane-1-carbonyloxymethyl)spiro[1,3-dithiolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;pentakis(triphenylsulfanium)?

The canonical SMILES for 2,2-difluoropropyl 4-(adamantane-1-carbonyloxymethyl)spiro[1,3-dithiolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;pentakis(triphenylsulfanium) is CC(F)(F)COC(=O)C12CC3CC(C1)C1(OCC(COC(=O)C45CC6CC(C4)C(=O)C(C6)C5)(COC(=O)C45CC6CC(C4)C(=O)C(C6)C5)CO1)C(C3)C2.CC(F)(F)COC(=O)C12CC3CC(C1)C1(OCC(COC(=O)C45CC6CC(CC(C6)C4)C5)(COC(=O)C45CC6CC(CC(C6)C4)C5)CO1)C(C3)C2.CC(F)(F)COC(=O)C12CC3CC(C1)C1(OCC(COC(=O)C45CC6CC(CC(O)(C6)C4)C5)(COC(=O)C45CC6CC(CC(O)(C6)C4)C5)CO1)C(C3)C2.CC(F)(F)COC(=O)C12CC3CC(C1)C1(OCC(COC(=O)C45CC6CC(CC(O)(C6)C4)C5)O1)C(C3)C2.CC(F)(F)COC(=O)C12CC3CC(C1)C1(SCC(COC(=O)C45CC6CC(CC(C6)C4)C5)S1)C(C3)C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 2,2-difluoropropyl 4-(adamantane-1-carbonyloxymethyl)spiro[1,3-dithiolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;pentakis(triphenylsulfanium)?

The InChIKey is HMVJMPNUVPKSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H56F2O10.C41H52F2O10.C41H56F2O8.C28H38F2O7.C28H38F2O4S2.5C18H15S/c1-34(42,43)19-49-31(44)36-6-24-4-29(15-36)41(30(5-24)16-36)52-22-35(23-53-41,20-50-32(45)37-7-25-2-26(8-37)12-39(47,11-25)17-37)21-51-33(46)38-9-27-3-28(10-38)14-40(48,13-27)18-38;1-36(42,43)17-49-35(48)40-10-24-6-29(15-40)41(30(7-24)16-40)52-20-37(21-53-41,18-50-33(46)38-8-22-2-25(11-38)31(44)26(3-22)12-38)19-51-34(47)39-9-23-4-27(13-39)32(45)28(5-23)14-39;1-36(42,43)19-47-35(46)40-16-30-8-31(17-40)41(32(9-30)18-40)50-22-37(23-51-41,20-48-33(44)38-10-24-2-25(11-38)4-26(3-24)12-38)21-49-34(45)39-13-27-5-28(14-39)7-29(6-27)15-39;1-24(29,30)15-35-22(31)25-5-16-3-19(10-25)28(20(4-16)11-25)36-13-21(37-28)12-34-23(32)26-6-17-2-18(7-26)9-27(33,8-17)14-26;1-25(29,30)15-34-24(32)27-10-19-5-20(11-27)28(21(6-19)12-27)35-14-22(36-28)13-33-23(31)26-7-16-2-17(8-26)4-18(3-16)9-26;5*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h24-30,47-48H,2-23H2,1H3;22-30H,2-21H2,1H3;24-32H,2-23H2,1H3;16-21,33H,2-15H2,1H3;16-22H,2-15H2,1H3;5*1-15H/q;;;;;5*+1.

What are the key properties of 2,2-difluoropropyl 4-(adamantane-1-carbonyloxymethyl)spiro[1,3-dithiolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;pentakis(triphenylsulfanium)?

2,2-difluoropropyl 4-(adamantane-1-carbonyloxymethyl)spiro[1,3-dithiolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;pentakis(triphenylsulfanium) has a molecular weight of 4586.89 g/mol, XLogP of 52.59, 54 rotatable bonds, 3 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-difluoropropyl 4-(adamantane-1-carbonyloxymethyl)spiro[1,3-dithiolane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis(adamantane-1-carbonyloxymethyl)spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 5,5-bis[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-1'-carboxylate;2,2-difluoropropyl 4-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxolane-2,4'-adamantane]-1'-carboxylate;pentakis(triphenylsulfanium) is sourced from PubChem (CID 158526388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).