2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;[3-[2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]acetyl]-1-adamantyl] 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;[3-(trifluoromethylsulfonylmethyl)-1-adamantyl] 2,2-dimethylbutanoate

C103H175F21O18S2 — CID 160928377

About 2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;[3-[2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]acetyl]-1-adamantyl] 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;[3-(trifluoromethylsulfonylmethyl)-1-adamantyl] 2,2-dimethylbutanoate

2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;[3-[2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]acetyl]-1-adamantyl] 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;[3-(trifluoromethylsulfonylmethyl)-1-adamantyl] 2,2-dimethylbutanoate (PubChem CID 160928377) has the molecular formula C103H175F21O18S2 and a molecular weight of 2164.61 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;[3-[2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]acetyl]-1-adamantyl] 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;[3-(trifluoromethylsulfonylmethyl)-1-adamantyl] 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: 2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;[3-[2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]acetyl]-1-adamantyl] 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;[3-(trifluoromethylsulfonylmethyl)-1-adamantyl] 2,2-dimethylbutanoate
• PubChem CID: 160928377
• Molecular Formula: C103H175F21O18S2
• Molecular Weight: 2164.61 g/mol
• Exact Mass: 2163.19
• IUPAC Name: 2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;[3-[2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]acetyl]-1-adamantyl] 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;[3-(trifluoromethylsulfonylmethyl)-1-adamantyl] 2,2-dimethylbutanoate
• SMILES: C.C.C.C.C.C.C.C.CC1C2CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C2)C1C.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC12CC3CC(C1)CC(C(=O)CS(=O)(=O)CC14CCC(CC1=O)C4(C)C)(C3)C2.CCC(C)(C)C(=O)OC12CC3CC(CC(CS(=O)(=O)C(F)(F)F)(C3)C1)C2.CCC(C)(C)C(=O)OC1CC(C(C)(O)C(F)(F)F)CC(C(C)(O)C(F)(F)F)C1.OC(CC1CC2CCC1C2)(C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C28H42O6S.C18H28F6O4.C18H27F3O4S.C13H18F6O.C11H14F6O.C7H14O2.8CH4/c1-6-24(2,3)23(31)34-27-13-18-9-19(14-27)12-26(11-18,16-27)22(30)15-35(32,33)17-28-8-7-20(10-21(28)29)25(28,4)5;1-6-14(2,3)13(25)28-12-8-10(15(4,26)17(19,20)21)7-11(9-12)16(5,27)18(22,23)24;1-4-15(2,3)14(22)25-17-8-12-5-13(9-17)7-16(6-12,10-17)11-26(23,24)18(19,20)21;1-6-7(2)10-4-8(6)3-9(10)5-11(20,12(14,15)16)13(17,18)19;12-10(13,14)9(18,11(15,16)17)5-8-4-6-1-2-7(8)3-6;1-5-7(2,3)6(8)9-4;;;;;;;;/h18-20H,6-17H2,1-5H3;10-12,26-27H,6-9H2,1-5H3;12-13H,4-11H2,1-3H3;6-10,20H,3-5H2,1-2H3;6-8,18H,1-5H2;5H2,1-4H3;8*1H4
• InChIKey: SSXYOOHOWRZCKQ-UHFFFAOYSA-N
• XLogP: 27.81
• TPSA: 288.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 24
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2164.61
LogP ≤ 5	27.81
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;[3-[2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]acetyl]-1-adamantyl] 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;[3-(trifluoromethylsulfonylmethyl)-1-adamantyl] 2,2-dimethylbutanoate?

The IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;[3-[2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]acetyl]-1-adamantyl] 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;[3-(trifluoromethylsulfonylmethyl)-1-adamantyl] 2,2-dimethylbutanoate (CID 160928377) is 2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;[3-[2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]acetyl]-1-adamantyl] 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;[3-(trifluoromethylsulfonylmethyl)-1-adamantyl] 2,2-dimethylbutanoate.

What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;[3-[2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]acetyl]-1-adamantyl] 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;[3-(trifluoromethylsulfonylmethyl)-1-adamantyl] 2,2-dimethylbutanoate?

The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;[3-[2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]acetyl]-1-adamantyl] 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;[3-(trifluoromethylsulfonylmethyl)-1-adamantyl] 2,2-dimethylbutanoate is C.C.C.C.C.C.C.C.CC1C2CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C2)C1C.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC12CC3CC(C1)CC(C(=O)CS(=O)(=O)CC14CCC(CC1=O)C4(C)C)(C3)C2.CCC(C)(C)C(=O)OC12CC3CC(CC(CS(=O)(=O)C(F)(F)F)(C3)C1)C2.CCC(C)(C)C(=O)OC1CC(C(C)(O)C(F)(F)F)CC(C(C)(O)C(F)(F)F)C1.OC(CC1CC2CCC1C2)(C(F)(F)F)C(F)(F)F.

What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;[3-[2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]acetyl]-1-adamantyl] 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;[3-(trifluoromethylsulfonylmethyl)-1-adamantyl] 2,2-dimethylbutanoate?

The InChIKey is SSXYOOHOWRZCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42O6S.C18H28F6O4.C18H27F3O4S.C13H18F6O.C11H14F6O.C7H14O2.8CH4/c1-6-24(2,3)23(31)34-27-13-18-9-19(14-27)12-26(11-18,16-27)22(30)15-35(32,33)17-28-8-7-20(10-21(28)29)25(28,4)5;1-6-14(2,3)13(25)28-12-8-10(15(4,26)17(19,20)21)7-11(9-12)16(5,27)18(22,23)24;1-4-15(2,3)14(22)25-17-8-12-5-13(9-17)7-16(6-12,10-17)11-26(23,24)18(19,20)21;1-6-7(2)10-4-8(6)3-9(10)5-11(20,12(14,15)16)13(17,18)19;12-10(13,14)9(18,11(15,16)17)5-8-4-6-1-2-7(8)3-6;1-5-7(2,3)6(8)9-4;;;;;;;;/h18-20H,6-17H2,1-5H3;10-12,26-27H,6-9H2,1-5H3;12-13H,4-11H2,1-3H3;6-10,20H,3-5H2,1-2H3;6-8,18H,1-5H2;5H2,1-4H3;8*1H4.

What are the key properties of 2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;[3-[2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]acetyl]-1-adamantyl] 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;[3-(trifluoromethylsulfonylmethyl)-1-adamantyl] 2,2-dimethylbutanoate?

2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;[3-[2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]acetyl]-1-adamantyl] 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;[3-(trifluoromethylsulfonylmethyl)-1-adamantyl] 2,2-dimethylbutanoate has a molecular weight of 2164.61 g/mol, XLogP of 27.81, 24 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;[3-[2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyl]acetyl]-1-adamantyl] 2,2-dimethylbutanoate;methane;methyl 2,2-dimethylbutanoate;[3-(trifluoromethylsulfonylmethyl)-1-adamantyl] 2,2-dimethylbutanoate is sourced from PubChem (CID 160928377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).