2,2-difluoropropyl (2-ethyl-2-adamantyl) carbonate;2,2-difluoropropyl (3-hydroxy-1-adamantyl) carbonate;2,2-difluoropropyl (5-hydroxy-2-adamantyl) carbonate;2,2-difluoropropyl (2-methyl-2-adamantyl) carbonate;[3-[(2-ethyl-2-adamantyl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(2-methyl-2-adamantyl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;phenyliodanuidylbenzene

C219H258F14I7O31-7 — CID 159803086

About 2,2-difluoropropyl (2-ethyl-2-adamantyl) carbonate;2,2-difluoropropyl (3-hydroxy-1-adamantyl) carbonate;2,2-difluoropropyl (5-hydroxy-2-adamantyl) carbonate;2,2-difluoropropyl (2-methyl-2-adamantyl) carbonate;[3-[(2-ethyl-2-adamantyl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(2-methyl-2-adamantyl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;phenyliodanuidylbenzene

2,2-difluoropropyl (2-ethyl-2-adamantyl) carbonate;2,2-difluoropropyl (3-hydroxy-1-adamantyl) carbonate;2,2-difluoropropyl (5-hydroxy-2-adamantyl) carbonate;2,2-difluoropropyl (2-methyl-2-adamantyl) carbonate;[3-[(2-ethyl-2-adamantyl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(2-methyl-2-adamantyl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;phenyliodanuidylbenzene (PubChem CID 159803086) has the molecular formula C219H258F14I7O31-7 and a molecular weight of 4540.74 g/mol. Its IUPAC name is 2,2-difluoropropyl (2-ethyl-2-adamantyl) carbonate;2,2-difluoropropyl (3-hydroxy-1-adamantyl) carbonate;2,2-difluoropropyl (5-hydroxy-2-adamantyl) carbonate;2,2-difluoropropyl (2-methyl-2-adamantyl) carbonate;[3-[(2-ethyl-2-adamantyl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(2-methyl-2-adamantyl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;phenyliodanuidylbenzene.

Molecular Properties

• Compound Name: 2,2-difluoropropyl (2-ethyl-2-adamantyl) carbonate;2,2-difluoropropyl (3-hydroxy-1-adamantyl) carbonate;2,2-difluoropropyl (5-hydroxy-2-adamantyl) carbonate;2,2-difluoropropyl (2-methyl-2-adamantyl) carbonate;[3-[(2-ethyl-2-adamantyl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(2-methyl-2-adamantyl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;phenyliodanuidylbenzene
• PubChem CID: 159803086
• Molecular Formula: C219H258F14I7O31-7
• Molecular Weight: 4540.74 g/mol
• Exact Mass: 4538.17
• IUPAC Name: 2,2-difluoropropyl (2-ethyl-2-adamantyl) carbonate;2,2-difluoropropyl (3-hydroxy-1-adamantyl) carbonate;2,2-difluoropropyl (5-hydroxy-2-adamantyl) carbonate;2,2-difluoropropyl (2-methyl-2-adamantyl) carbonate;[3-[(2-ethyl-2-adamantyl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(2-methyl-2-adamantyl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;phenyliodanuidylbenzene
• SMILES: CC(F)(F)C(=O)OCC12CC3CC(C1)CC(OC(=O)OC1(C)C4CC5CC(C4)CC1C5)(C3)C2.CC(F)(F)C(=O)OCC12CC3CC(C1)CC(OC(=O)OC1C4CC5C(=O)OC1C5C4)(C3)C2.CC(F)(F)COC(=O)OC1(C)C2CC3CC(C2)CC1C3.CC(F)(F)COC(=O)OC12CC3CC(CC(O)(C3)C1)C2.CC(F)(F)COC(=O)OC1C2CC3CC1CC(O)(C3)C2.CCC1(OC(=O)OC23CC4CC(CC(COC(=O)C(C)(F)F)(C4)C2)C3)C2CC3CC(C2)CC1C3.CCC1(OC(=O)OCC(C)(F)F)C2CC3CC(C2)CC1C3.c1ccc([I-]c2ccccc2)cc1.c1ccc([I-]c2ccccc2)cc1.c1ccc([I-]c2ccccc2)cc1.c1ccc([I-]c2ccccc2)cc1.c1ccc([I-]c2ccccc2)cc1.c1ccc([I-]c2ccccc2)cc1.c1ccc([I-]c2ccccc2)cc1
• InChI: InChI=1S/C27H38F2O5.C26H36F2O5.C23H28F2O7.C16H24F2O3.C15H22F2O3.2C14H20F2O4.7C12H10I/c1-3-27(20-6-16-4-17(8-20)9-21(27)7-16)34-23(31)33-26-12-18-5-19(13-26)11-25(10-18,14-26)15-32-22(30)24(2,28)29;1-23(19-5-15-3-16(7-19)8-20(23)6-15)32-22(30)33-26-11-17-4-18(12-26)10-25(9-17,13-26)14-31-21(29)24(2,27)28;1-21(24,25)19(27)29-10-22-5-11-2-12(6-22)8-23(7-11,9-22)32-20(28)31-16-13-3-14-15(4-13)18(26)30-17(14)16;1-3-16(21-14(19)20-9-15(2,17)18)12-5-10-4-11(7-12)8-13(16)6-10;1-14(16,17)8-19-13(18)20-15(2)11-4-9-3-10(6-11)7-12(15)5-9;1-12(15,16)8-19-11(17)20-14-5-9-2-10(6-14)4-13(18,3-9)7-14;1-13(15,16)7-19-12(17)20-11-9-2-8-3-10(11)6-14(18,4-8)5-9;7*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h16-21H,3-15H2,1-2H3;15-20H,3-14H2,1-2H3;11-17H,2-10H2,1H3;10-13H,3-9H2,1-2H3;9-12H,3-8H2,1-2H3;9-10,18H,2-8H2,1H3;8-11,18H,2-7H2,1H3;7*1-10H/q;;;;;;;7*-1
• InChIKey: UFNCLDWSNQXEJO-UHFFFAOYSA-N
• XLogP: 28.53
• TPSA: 394.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 31
• Rotatable Bonds: 43
• Heavy Atoms: 271
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4540.74
LogP ≤ 5	28.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoropropyl (2-ethyl-2-adamantyl) carbonate;2,2-difluoropropyl (3-hydroxy-1-adamantyl) carbonate;2,2-difluoropropyl (5-hydroxy-2-adamantyl) carbonate;2,2-difluoropropyl (2-methyl-2-adamantyl) carbonate;[3-[(2-ethyl-2-adamantyl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(2-methyl-2-adamantyl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;phenyliodanuidylbenzene?

The IUPAC name of 2,2-difluoropropyl (2-ethyl-2-adamantyl) carbonate;2,2-difluoropropyl (3-hydroxy-1-adamantyl) carbonate;2,2-difluoropropyl (5-hydroxy-2-adamantyl) carbonate;2,2-difluoropropyl (2-methyl-2-adamantyl) carbonate;[3-[(2-ethyl-2-adamantyl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(2-methyl-2-adamantyl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;phenyliodanuidylbenzene (CID 159803086) is 2,2-difluoropropyl (2-ethyl-2-adamantyl) carbonate;2,2-difluoropropyl (3-hydroxy-1-adamantyl) carbonate;2,2-difluoropropyl (5-hydroxy-2-adamantyl) carbonate;2,2-difluoropropyl (2-methyl-2-adamantyl) carbonate;[3-[(2-ethyl-2-adamantyl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(2-methyl-2-adamantyl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;phenyliodanuidylbenzene.

What is the SMILES notation for 2,2-difluoropropyl (2-ethyl-2-adamantyl) carbonate;2,2-difluoropropyl (3-hydroxy-1-adamantyl) carbonate;2,2-difluoropropyl (5-hydroxy-2-adamantyl) carbonate;2,2-difluoropropyl (2-methyl-2-adamantyl) carbonate;[3-[(2-ethyl-2-adamantyl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(2-methyl-2-adamantyl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;phenyliodanuidylbenzene?

The canonical SMILES for 2,2-difluoropropyl (2-ethyl-2-adamantyl) carbonate;2,2-difluoropropyl (3-hydroxy-1-adamantyl) carbonate;2,2-difluoropropyl (5-hydroxy-2-adamantyl) carbonate;2,2-difluoropropyl (2-methyl-2-adamantyl) carbonate;[3-[(2-ethyl-2-adamantyl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(2-methyl-2-adamantyl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;phenyliodanuidylbenzene is CC(F)(F)C(=O)OCC12CC3CC(C1)CC(OC(=O)OC1(C)C4CC5CC(C4)CC1C5)(C3)C2.CC(F)(F)C(=O)OCC12CC3CC(C1)CC(OC(=O)OC1C4CC5C(=O)OC1C5C4)(C3)C2.CC(F)(F)COC(=O)OC1(C)C2CC3CC(C2)CC1C3.CC(F)(F)COC(=O)OC12CC3CC(CC(O)(C3)C1)C2.CC(F)(F)COC(=O)OC1C2CC3CC1CC(O)(C3)C2.CCC1(OC(=O)OC23CC4CC(CC(COC(=O)C(C)(F)F)(C4)C2)C3)C2CC3CC(C2)CC1C3.CCC1(OC(=O)OCC(C)(F)F)C2CC3CC(C2)CC1C3.c1ccc([I-]c2ccccc2)cc1.c1ccc([I-]c2ccccc2)cc1.c1ccc([I-]c2ccccc2)cc1.c1ccc([I-]c2ccccc2)cc1.c1ccc([I-]c2ccccc2)cc1.c1ccc([I-]c2ccccc2)cc1.c1ccc([I-]c2ccccc2)cc1.

What is the InChIKey of 2,2-difluoropropyl (2-ethyl-2-adamantyl) carbonate;2,2-difluoropropyl (3-hydroxy-1-adamantyl) carbonate;2,2-difluoropropyl (5-hydroxy-2-adamantyl) carbonate;2,2-difluoropropyl (2-methyl-2-adamantyl) carbonate;[3-[(2-ethyl-2-adamantyl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(2-methyl-2-adamantyl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;phenyliodanuidylbenzene?

The InChIKey is UFNCLDWSNQXEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38F2O5.C26H36F2O5.C23H28F2O7.C16H24F2O3.C15H22F2O3.2C14H20F2O4.7C12H10I/c1-3-27(20-6-16-4-17(8-20)9-21(27)7-16)34-23(31)33-26-12-18-5-19(13-26)11-25(10-18,14-26)15-32-22(30)24(2,28)29;1-23(19-5-15-3-16(7-19)8-20(23)6-15)32-22(30)33-26-11-17-4-18(12-26)10-25(9-17,13-26)14-31-21(29)24(2,27)28;1-21(24,25)19(27)29-10-22-5-11-2-12(6-22)8-23(7-11,9-22)32-20(28)31-16-13-3-14-15(4-13)18(26)30-17(14)16;1-3-16(21-14(19)20-9-15(2,17)18)12-5-10-4-11(7-12)8-13(16)6-10;1-14(16,17)8-19-13(18)20-15(2)11-4-9-3-10(6-11)7-12(15)5-9;1-12(15,16)8-19-11(17)20-14-5-9-2-10(6-14)4-13(18,3-9)7-14;1-13(15,16)7-19-12(17)20-11-9-2-8-3-10(11)6-14(18,4-8)5-9;7*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h16-21H,3-15H2,1-2H3;15-20H,3-14H2,1-2H3;11-17H,2-10H2,1H3;10-13H,3-9H2,1-2H3;9-12H,3-8H2,1-2H3;9-10,18H,2-8H2,1H3;8-11,18H,2-7H2,1H3;7*1-10H/q;;;;;;;7*-1.

What are the key properties of 2,2-difluoropropyl (2-ethyl-2-adamantyl) carbonate;2,2-difluoropropyl (3-hydroxy-1-adamantyl) carbonate;2,2-difluoropropyl (5-hydroxy-2-adamantyl) carbonate;2,2-difluoropropyl (2-methyl-2-adamantyl) carbonate;[3-[(2-ethyl-2-adamantyl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(2-methyl-2-adamantyl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;phenyliodanuidylbenzene?

2,2-difluoropropyl (2-ethyl-2-adamantyl) carbonate;2,2-difluoropropyl (3-hydroxy-1-adamantyl) carbonate;2,2-difluoropropyl (5-hydroxy-2-adamantyl) carbonate;2,2-difluoropropyl (2-methyl-2-adamantyl) carbonate;[3-[(2-ethyl-2-adamantyl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(2-methyl-2-adamantyl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;phenyliodanuidylbenzene has a molecular weight of 4540.74 g/mol, XLogP of 28.53, 43 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-difluoropropyl (2-ethyl-2-adamantyl) carbonate;2,2-difluoropropyl (3-hydroxy-1-adamantyl) carbonate;2,2-difluoropropyl (5-hydroxy-2-adamantyl) carbonate;2,2-difluoropropyl (2-methyl-2-adamantyl) carbonate;[3-[(2-ethyl-2-adamantyl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(2-methyl-2-adamantyl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;[3-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyloxy]-1-adamantyl]methyl 2,2-difluoropropanoate;phenyliodanuidylbenzene is sourced from PubChem (CID 159803086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).