bis(2,2-difluoro-1-imidazol-1-ylpropan-1-one);2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 4-hydroxyadamantane-1-carboxylate;molecular iodine;tetrakis(triphenylsulfanium)

C145H152F8I2N8O16S4+4 — CID 157366284

About bis(2,2-difluoro-1-imidazol-1-ylpropan-1-one);2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 4-hydroxyadamantane-1-carboxylate;molecular iodine;tetrakis(triphenylsulfanium)

bis(2,2-difluoro-1-imidazol-1-ylpropan-1-one);2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 4-hydroxyadamantane-1-carboxylate;molecular iodine;tetrakis(triphenylsulfanium) (PubChem CID 157366284) has the molecular formula C145H152F8I2N8O16S4+4 and a molecular weight of 2796.91 g/mol. Its IUPAC name is bis(2,2-difluoro-1-imidazol-1-ylpropan-1-one);2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 4-hydroxyadamantane-1-carboxylate;molecular iodine;tetrakis(triphenylsulfanium).

Molecular Properties

• Compound Name: bis(2,2-difluoro-1-imidazol-1-ylpropan-1-one);2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 4-hydroxyadamantane-1-carboxylate;molecular iodine;tetrakis(triphenylsulfanium)
• PubChem CID: 157366284
• Molecular Formula: C145H152F8I2N8O16S4+4
• Molecular Weight: 2796.91 g/mol
• Exact Mass: 2794.81
• IUPAC Name: bis(2,2-difluoro-1-imidazol-1-ylpropan-1-one);2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 4-hydroxyadamantane-1-carboxylate;molecular iodine;tetrakis(triphenylsulfanium)
• SMILES: CC(F)(F)C(=O)O.CC(F)(F)C(=O)OC1C2CC3CC1CC(C(=O)OCC(=O)OC1(C)C4CC5CC(C4)CC1C5)(C3)C2.CC(F)(F)C(=O)n1ccnc1.CC(F)(F)C(=O)n1ccnc1.CC1(OC(=O)COC(=O)C23CC4CC(C2)C(O)C(C4)C3)C2CC3CC(C2)CC1C3.II.O=C(n1ccnc1)n1ccnc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C27H36F2O6.C24H34O5.4C18H15S.C7H6N4O.2C6H6F2N2O.C3H4F2O2.I2/c1-25(19-6-14-3-15(8-19)9-20(25)7-14)35-21(30)13-33-24(32)27-10-16-4-17(11-27)22(18(5-16)12-27)34-23(31)26(2,28)29;1-23(18-5-13-2-14(7-18)8-19(23)6-13)29-20(25)12-28-22(27)24-9-15-3-16(10-24)21(26)17(4-15)11-24;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;12-7(10-3-1-8-5-10)11-4-2-9-6-11;2*1-6(7,8)5(11)10-3-2-9-4-10;1-3(4,5)2(6)7;1-2/h14-20,22H,3-13H2,1-2H3;13-19,21,26H,2-12H2,1H3;4*1-15H;1-6H;2*2-4H,1H3;1H3,(H,6,7);/q;;4*+1
• InChIKey: BJFJJQIFMOYATO-UHFFFAOYSA-N
• XLogP: 32.73
• TPSA: 311.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 25
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2796.91
LogP ≤ 5	32.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

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': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(2,2-difluoro-1-imidazol-1-ylpropan-1-one);2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 4-hydroxyadamantane-1-carboxylate;molecular iodine;tetrakis(triphenylsulfanium)?

The IUPAC name of bis(2,2-difluoro-1-imidazol-1-ylpropan-1-one);2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 4-hydroxyadamantane-1-carboxylate;molecular iodine;tetrakis(triphenylsulfanium) (CID 157366284) is bis(2,2-difluoro-1-imidazol-1-ylpropan-1-one);2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 4-hydroxyadamantane-1-carboxylate;molecular iodine;tetrakis(triphenylsulfanium).

What is the SMILES notation for bis(2,2-difluoro-1-imidazol-1-ylpropan-1-one);2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 4-hydroxyadamantane-1-carboxylate;molecular iodine;tetrakis(triphenylsulfanium)?

The canonical SMILES for bis(2,2-difluoro-1-imidazol-1-ylpropan-1-one);2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 4-hydroxyadamantane-1-carboxylate;molecular iodine;tetrakis(triphenylsulfanium) is CC(F)(F)C(=O)O.CC(F)(F)C(=O)OC1C2CC3CC1CC(C(=O)OCC(=O)OC1(C)C4CC5CC(C4)CC1C5)(C3)C2.CC(F)(F)C(=O)n1ccnc1.CC(F)(F)C(=O)n1ccnc1.CC1(OC(=O)COC(=O)C23CC4CC(C2)C(O)C(C4)C3)C2CC3CC(C2)CC1C3.II.O=C(n1ccnc1)n1ccnc1.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 bis(2,2-difluoro-1-imidazol-1-ylpropan-1-one);2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 4-hydroxyadamantane-1-carboxylate;molecular iodine;tetrakis(triphenylsulfanium)?

The InChIKey is BJFJJQIFMOYATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36F2O6.C24H34O5.4C18H15S.C7H6N4O.2C6H6F2N2O.C3H4F2O2.I2/c1-25(19-6-14-3-15(8-19)9-20(25)7-14)35-21(30)13-33-24(32)27-10-16-4-17(11-27)22(18(5-16)12-27)34-23(31)26(2,28)29;1-23(18-5-13-2-14(7-18)8-19(23)6-13)29-20(25)12-28-22(27)24-9-15-3-16(10-24)21(26)17(4-15)11-24;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;12-7(10-3-1-8-5-10)11-4-2-9-6-11;2*1-6(7,8)5(11)10-3-2-9-4-10;1-3(4,5)2(6)7;1-2/h14-20,22H,3-13H2,1-2H3;13-19,21,26H,2-12H2,1H3;4*1-15H;1-6H;2*2-4H,1H3;1H3,(H,6,7);/q;;4*+1;;;;;.

What are the key properties of bis(2,2-difluoro-1-imidazol-1-ylpropan-1-one);2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 4-hydroxyadamantane-1-carboxylate;molecular iodine;tetrakis(triphenylsulfanium)?

bis(2,2-difluoro-1-imidazol-1-ylpropan-1-one);2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 4-hydroxyadamantane-1-carboxylate;molecular iodine;tetrakis(triphenylsulfanium) has a molecular weight of 2796.91 g/mol, XLogP of 32.73, 25 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,2-difluoro-1-imidazol-1-ylpropan-1-one);2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 4-hydroxyadamantane-1-carboxylate;molecular iodine;tetrakis(triphenylsulfanium) is sourced from PubChem (CID 157366284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).