bis(2,2-difluoro-1-imidazol-1-ylpropan-1-one);2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;diiodo(iodoiodanuidyl)-λ3-iodane;1-ethylcyclohexan-1-ol;bis((1-ethylcyclohexyl) 2-chloroacetate);[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;bis([2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-hydroxyadamantane-1-carboxylate);bis([2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-oxoadamantane-1-carboxylate);4-oxoadamantane-1-carboxylic acid;tetrakis(triphenylsulfanium)

C241H304Cl2F8I5N8O39S4+3 — CID 158470066

About bis(2,2-difluoro-1-imidazol-1-ylpropan-1-one);2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;diiodo(iodoiodanuidyl)-λ3-iodane;1-ethylcyclohexan-1-ol;bis((1-ethylcyclohexyl) 2-chloroacetate);[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;bis([2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-hydroxyadamantane-1-carboxylate);bis([2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-oxoadamantane-1-carboxylate);4-oxoadamantane-1-carboxylic acid;tetrakis(triphenylsulfanium)

bis(2,2-difluoro-1-imidazol-1-ylpropan-1-one);2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;diiodo(iodoiodanuidyl)-λ3-iodane;1-ethylcyclohexan-1-ol;bis((1-ethylcyclohexyl) 2-chloroacetate);[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;bis([2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-hydroxyadamantane-1-carboxylate);bis([2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-oxoadamantane-1-carboxylate);4-oxoadamantane-1-carboxylic acid;tetrakis(triphenylsulfanium) (PubChem CID 158470066) has the molecular formula C241H304Cl2F8I5N8O39S4+3 and a molecular weight of 4922.78 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;diiodo(iodoiodanuidyl)-λ3-iodane;1-ethylcyclohexan-1-ol;bis((1-ethylcyclohexyl) 2-chloroacetate);[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;bis([2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-hydroxyadamantane-1-carboxylate);bis([2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-oxoadamantane-1-carboxylate);4-oxoadamantane-1-carboxylic acid;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;diiodo(iodoiodanuidyl)-λ3-iodane;1-ethylcyclohexan-1-ol;bis((1-ethylcyclohexyl) 2-chloroacetate);[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;bis([2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-hydroxyadamantane-1-carboxylate);bis([2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-oxoadamantane-1-carboxylate);4-oxoadamantane-1-carboxylic acid;tetrakis(triphenylsulfanium)
• PubChem CID: 158470066
• Molecular Formula: C241H304Cl2F8I5N8O39S4+3
• Molecular Weight: 4922.78 g/mol
• Exact Mass: 4918.54
• IUPAC Name: bis(2,2-difluoro-1-imidazol-1-ylpropan-1-one);2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;diiodo(iodoiodanuidyl)-λ3-iodane;1-ethylcyclohexan-1-ol;bis((1-ethylcyclohexyl) 2-chloroacetate);[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;bis([2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-hydroxyadamantane-1-carboxylate);bis([2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-oxoadamantane-1-carboxylate);4-oxoadamantane-1-carboxylic acid;tetrakis(triphenylsulfanium)
• SMILES: CC(F)(F)C(=O)O.CC(F)(F)C(=O)n1ccnc1.CC(F)(F)C(=O)n1ccnc1.CCC1(O)CCCCC1.CCC1(OC(=O)CCl)CCCCC1.CCC1(OC(=O)CCl)CCCCC1.CCC1(OC(=O)COC(=O)C23CC4CC(C2)C(=O)C(C4)C3)CCCCC1.CCC1(OC(=O)COC(=O)C23CC4CC(C2)C(=O)C(C4)C3)CCCCC1.CCC1(OC(=O)COC(=O)C23CC4CC(C2)C(O)C(C4)C3)CCCCC1.CCC1(OC(=O)COC(=O)C23CC4CC(C2)C(O)C(C4)C3)CCCCC1.CCC1(OC(=O)COC(=O)C23CC4CC(C2)C(OC(=O)C(C)(F)F)C(C4)C3)CCCCC1.I[I-]I(I)I.O=C(n1ccnc1)n1ccnc1.O=C1C2CC3CC1CC(C(=O)O)(C3)C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C24H34F2O6.2C21H32O5.2C21H30O5.4C18H15S.C11H14O3.2C10H17ClO2.C8H16O.C7H6N4O.2C6H6F2N2O.C3H4F2O2.I5/c1-3-24(7-5-4-6-8-24)32-18(27)14-30-21(29)23-11-15-9-16(12-23)19(17(10-15)13-23)31-20(28)22(2,25)26;4*1-2-21(6-4-3-5-7-21)26-17(22)13-25-19(24)20-10-14-8-15(11-20)18(23)16(9-14)12-20;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;12-9-7-1-6-2-8(9)5-11(3-6,4-7)10(13)14;2*1-2-10(13-9(12)8-11)6-4-3-5-7-10;1-2-8(9)6-4-3-5-7-8;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;1-4-5(2)3/h15-17,19H,3-14H2,1-2H3;2*14-16,18,23H,2-13H2,1H3;2*14-16H,2-13H2,1H3;4*1-15H;6-8H,1-5H2,(H,13,14);2*2-8H2,1H3;9H,2-7H2,1H3;1-6H;2*2-4H,1H3;1H3,(H,6,7);/q;;;;;4*+1;;;;;;;;;-1
• InChIKey: TUNIBEBDRDLQBI-UHFFFAOYSA-N
• XLogP: 51.16
• TPSA: 650.89 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 45
• Rotatable Bonds: 51
• Heavy Atoms: 307
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4922.78
LogP ≤ 5	51.16
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	45

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;diiodo(iodoiodanuidyl)-λ3-iodane;1-ethylcyclohexan-1-ol;bis((1-ethylcyclohexyl) 2-chloroacetate);[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;bis([2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-hydroxyadamantane-1-carboxylate);bis([2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-oxoadamantane-1-carboxylate);4-oxoadamantane-1-carboxylic acid;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;diiodo(iodoiodanuidyl)-λ3-iodane;1-ethylcyclohexan-1-ol;bis((1-ethylcyclohexyl) 2-chloroacetate);[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;bis([2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-hydroxyadamantane-1-carboxylate);bis([2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-oxoadamantane-1-carboxylate);4-oxoadamantane-1-carboxylic acid;tetrakis(triphenylsulfanium) (CID 158470066) is bis(2,2-difluoro-1-imidazol-1-ylpropan-1-one);2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;diiodo(iodoiodanuidyl)-λ3-iodane;1-ethylcyclohexan-1-ol;bis((1-ethylcyclohexyl) 2-chloroacetate);[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;bis([2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-hydroxyadamantane-1-carboxylate);bis([2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-oxoadamantane-1-carboxylate);4-oxoadamantane-1-carboxylic acid;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;diiodo(iodoiodanuidyl)-λ3-iodane;1-ethylcyclohexan-1-ol;bis((1-ethylcyclohexyl) 2-chloroacetate);[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;bis([2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-hydroxyadamantane-1-carboxylate);bis([2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-oxoadamantane-1-carboxylate);4-oxoadamantane-1-carboxylic acid;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;diiodo(iodoiodanuidyl)-λ3-iodane;1-ethylcyclohexan-1-ol;bis((1-ethylcyclohexyl) 2-chloroacetate);[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;bis([2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-hydroxyadamantane-1-carboxylate);bis([2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-oxoadamantane-1-carboxylate);4-oxoadamantane-1-carboxylic acid;tetrakis(triphenylsulfanium) is CC(F)(F)C(=O)O.CC(F)(F)C(=O)n1ccnc1.CC(F)(F)C(=O)n1ccnc1.CCC1(O)CCCCC1.CCC1(OC(=O)CCl)CCCCC1.CCC1(OC(=O)CCl)CCCCC1.CCC1(OC(=O)COC(=O)C23CC4CC(C2)C(=O)C(C4)C3)CCCCC1.CCC1(OC(=O)COC(=O)C23CC4CC(C2)C(=O)C(C4)C3)CCCCC1.CCC1(OC(=O)COC(=O)C23CC4CC(C2)C(O)C(C4)C3)CCCCC1.CCC1(OC(=O)COC(=O)C23CC4CC(C2)C(O)C(C4)C3)CCCCC1.CCC1(OC(=O)COC(=O)C23CC4CC(C2)C(OC(=O)C(C)(F)F)C(C4)C3)CCCCC1.I[I-]I(I)I.O=C(n1ccnc1)n1ccnc1.O=C1C2CC3CC1CC(C(=O)O)(C3)C2.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;diiodo(iodoiodanuidyl)-λ3-iodane;1-ethylcyclohexan-1-ol;bis((1-ethylcyclohexyl) 2-chloroacetate);[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;bis([2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-hydroxyadamantane-1-carboxylate);bis([2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-oxoadamantane-1-carboxylate);4-oxoadamantane-1-carboxylic acid;tetrakis(triphenylsulfanium)?

The InChIKey is TUNIBEBDRDLQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F2O6.2C21H32O5.2C21H30O5.4C18H15S.C11H14O3.2C10H17ClO2.C8H16O.C7H6N4O.2C6H6F2N2O.C3H4F2O2.I5/c1-3-24(7-5-4-6-8-24)32-18(27)14-30-21(29)23-11-15-9-16(12-23)19(17(10-15)13-23)31-20(28)22(2,25)26;4*1-2-21(6-4-3-5-7-21)26-17(22)13-25-19(24)20-10-14-8-15(11-20)18(23)16(9-14)12-20;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;12-9-7-1-6-2-8(9)5-11(3-6,4-7)10(13)14;2*1-2-10(13-9(12)8-11)6-4-3-5-7-10;1-2-8(9)6-4-3-5-7-8;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;1-4-5(2)3/h15-17,19H,3-14H2,1-2H3;2*14-16,18,23H,2-13H2,1H3;2*14-16H,2-13H2,1H3;4*1-15H;6-8H,1-5H2,(H,13,14);2*2-8H2,1H3;9H,2-7H2,1H3;1-6H;2*2-4H,1H3;1H3,(H,6,7);/q;;;;;4*+1;;;;;;;;;-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;diiodo(iodoiodanuidyl)-λ3-iodane;1-ethylcyclohexan-1-ol;bis((1-ethylcyclohexyl) 2-chloroacetate);[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;bis([2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-hydroxyadamantane-1-carboxylate);bis([2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-oxoadamantane-1-carboxylate);4-oxoadamantane-1-carboxylic acid;tetrakis(triphenylsulfanium)?

bis(2,2-difluoro-1-imidazol-1-ylpropan-1-one);2,2-difluoropropanoic acid;di(imidazol-1-yl)methanone;diiodo(iodoiodanuidyl)-λ3-iodane;1-ethylcyclohexan-1-ol;bis((1-ethylcyclohexyl) 2-chloroacetate);[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;bis([2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-hydroxyadamantane-1-carboxylate);bis([2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-oxoadamantane-1-carboxylate);4-oxoadamantane-1-carboxylic acid;tetrakis(triphenylsulfanium) has a molecular weight of 4922.78 g/mol, XLogP of 51.16, 51 rotatable bonds, 5 hydrogen bond donors, and 45 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;diiodo(iodoiodanuidyl)-λ3-iodane;1-ethylcyclohexan-1-ol;bis((1-ethylcyclohexyl) 2-chloroacetate);[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;bis([2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-hydroxyadamantane-1-carboxylate);bis([2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 4-oxoadamantane-1-carboxylate);4-oxoadamantane-1-carboxylic acid;tetrakis(triphenylsulfanium) is sourced from PubChem (CID 158470066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).