tert-butyl [1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-yl] carbonate;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane;2,3-dimethyl-5-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane;2-(1-ethoxyethoxy)-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexane;2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyoxane

C85H128F36O11 — CID 90777102

About tert-butyl [1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-yl] carbonate;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane;2,3-dimethyl-5-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane;2-(1-ethoxyethoxy)-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexane;2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyoxane

tert-butyl [1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-yl] carbonate;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane;2,3-dimethyl-5-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane;2-(1-ethoxyethoxy)-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexane;2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyoxane (PubChem CID 90777102) has the molecular formula C85H128F36O11 and a molecular weight of 2009.88 g/mol. Its IUPAC name is tert-butyl [1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-yl] carbonate;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane;2,3-dimethyl-5-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane;2-(1-ethoxyethoxy)-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexane;2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyoxane.

Molecular Properties

• Compound Name: tert-butyl [1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-yl] carbonate;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane;2,3-dimethyl-5-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane;2-(1-ethoxyethoxy)-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexane;2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyoxane
• PubChem CID: 90777102
• Molecular Formula: C85H128F36O11
• Molecular Weight: 2009.88 g/mol
• Exact Mass: 2008.89
• IUPAC Name: tert-butyl [1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-yl] carbonate;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane;2,3-dimethyl-5-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane;2-(1-ethoxyethoxy)-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexane;2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyoxane
• SMILES: CC1C2CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C2)C1C.CC1C2CC(CC(OC(C)(C)C)(C(F)(F)F)C(F)(F)F)C(C2)C1C.CC1C2CC(CC(OC3CCCCO3)(C(F)(F)F)C(F)(F)F)C(C2)C1C.CCC(C)CC(OC1CCCCO1)(C(F)(F)F)C(F)(F)F.CCCCC(OC(=O)OC(C)(C)C)(C(F)(F)F)C(F)(F)F.CCOC(C)OC(CC(C)CC)(C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C18H26F6O2.C17H26F6O.C13H20F6O2.C13H18F6O.C12H18F6O3.C12H20F6O2/c1-10-11(2)14-8-12(10)7-13(14)9-16(17(19,20)21,18(22,23)24)26-15-5-3-4-6-25-15;1-9-10(2)13-7-11(9)6-12(13)8-15(16(18,19)20,17(21,22)23)24-14(3,4)5;1-3-9(2)8-11(12(14,15)16,13(17,18)19)21-10-6-4-5-7-20-10;1-6-7(2)10-4-8(6)3-9(10)5-11(20,12(14,15)16)13(17,18)19;1-5-6-7-10(11(13,14)15,12(16,17)18)21-8(19)20-9(2,3)4;1-5-8(3)7-10(11(13,14)15,12(16,17)18)20-9(4)19-6-2/h10-15H,3-9H2,1-2H3;9-13H,6-8H2,1-5H3;9-10H,3-8H2,1-2H3;6-10,20H,3-5H2,1-2H3;5-7H2,1-4H3;8-9H,5-7H2,1-4H3
• InChIKey: ZMXLIRLZYYDSMZ-UHFFFAOYSA-N
• XLogP: 30.36
• TPSA: 120.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 25
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2009.88
LogP ≤ 5	30.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl [1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-yl] carbonate;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane;2,3-dimethyl-5-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane;2-(1-ethoxyethoxy)-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexane;2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyoxane?

The IUPAC name of tert-butyl [1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-yl] carbonate;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane;2,3-dimethyl-5-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane;2-(1-ethoxyethoxy)-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexane;2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyoxane (CID 90777102) is tert-butyl [1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-yl] carbonate;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane;2,3-dimethyl-5-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane;2-(1-ethoxyethoxy)-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexane;2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyoxane.

What is the SMILES notation for tert-butyl [1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-yl] carbonate;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane;2,3-dimethyl-5-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane;2-(1-ethoxyethoxy)-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexane;2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyoxane?

The canonical SMILES for tert-butyl [1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-yl] carbonate;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane;2,3-dimethyl-5-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane;2-(1-ethoxyethoxy)-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexane;2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyoxane is CC1C2CC(CC(O)(C(F)(F)F)C(F)(F)F)C(C2)C1C.CC1C2CC(CC(OC(C)(C)C)(C(F)(F)F)C(F)(F)F)C(C2)C1C.CC1C2CC(CC(OC3CCCCO3)(C(F)(F)F)C(F)(F)F)C(C2)C1C.CCC(C)CC(OC1CCCCO1)(C(F)(F)F)C(F)(F)F.CCCCC(OC(=O)OC(C)(C)C)(C(F)(F)F)C(F)(F)F.CCOC(C)OC(CC(C)CC)(C(F)(F)F)C(F)(F)F.

What is the InChIKey of tert-butyl [1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-yl] carbonate;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane;2,3-dimethyl-5-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane;2-(1-ethoxyethoxy)-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexane;2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyoxane?

The InChIKey is ZMXLIRLZYYDSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F6O2.C17H26F6O.C13H20F6O2.C13H18F6O.C12H18F6O3.C12H20F6O2/c1-10-11(2)14-8-12(10)7-13(14)9-16(17(19,20)21,18(22,23)24)26-15-5-3-4-6-25-15;1-9-10(2)13-7-11(9)6-12(13)8-15(16(18,19)20,17(21,22)23)24-14(3,4)5;1-3-9(2)8-11(12(14,15)16,13(17,18)19)21-10-6-4-5-7-20-10;1-6-7(2)10-4-8(6)3-9(10)5-11(20,12(14,15)16)13(17,18)19;1-5-6-7-10(11(13,14)15,12(16,17)18)21-8(19)20-9(2,3)4;1-5-8(3)7-10(11(13,14)15,12(16,17)18)20-9(4)19-6-2/h10-15H,3-9H2,1-2H3;9-13H,6-8H2,1-5H3;9-10H,3-8H2,1-2H3;6-10,20H,3-5H2,1-2H3;5-7H2,1-4H3;8-9H,5-7H2,1-4H3.

What are the key properties of tert-butyl [1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-yl] carbonate;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane;2,3-dimethyl-5-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane;2-(1-ethoxyethoxy)-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexane;2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyoxane?

tert-butyl [1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-yl] carbonate;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane;2,3-dimethyl-5-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane;2-(1-ethoxyethoxy)-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexane;2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyoxane has a molecular weight of 2009.88 g/mol, XLogP of 30.36, 25 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl [1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-yl] carbonate;2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane;2,3-dimethyl-5-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane;2-(1-ethoxyethoxy)-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexane;2-[1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyoxane is sourced from PubChem (CID 90777102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).