2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;4-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-ol;2-[1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-yl]oxyoxane;methane;tetrakis(methyl 2,2-dimethylbutanoate);[5,5,5-trifluoro-2-hydroxy-4-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)pentyl] 2,2-dimethylbutanoate;4-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane

C146H251F33O19 — CID 162148155

About 2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;4-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-ol;2-[1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-yl]oxyoxane;methane;tetrakis(methyl 2,2-dimethylbutanoate);[5,5,5-trifluoro-2-hydroxy-4-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)pentyl] 2,2-dimethylbutanoate;4-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane

2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;4-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-ol;2-[1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-yl]oxyoxane;methane;tetrakis(methyl 2,2-dimethylbutanoate);[5,5,5-trifluoro-2-hydroxy-4-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)pentyl] 2,2-dimethylbutanoate;4-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane (PubChem CID 162148155) has the molecular formula C146H251F33O19 and a molecular weight of 2937.53 g/mol. Its IUPAC name is 2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;4-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-ol;2-[1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-yl]oxyoxane;methane;tetrakis(methyl 2,2-dimethylbutanoate);[5,5,5-trifluoro-2-hydroxy-4-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)pentyl] 2,2-dimethylbutanoate;4-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane.

Molecular Properties

• Compound Name: 2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;4-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-ol;2-[1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-yl]oxyoxane;methane;tetrakis(methyl 2,2-dimethylbutanoate);[5,5,5-trifluoro-2-hydroxy-4-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)pentyl] 2,2-dimethylbutanoate;4-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane
• PubChem CID: 162148155
• Molecular Formula: C146H251F33O19
• Molecular Weight: 2937.53 g/mol
• Exact Mass: 2935.81
• IUPAC Name: 2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;4-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-ol;2-[1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-yl]oxyoxane;methane;tetrakis(methyl 2,2-dimethylbutanoate);[5,5,5-trifluoro-2-hydroxy-4-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)pentyl] 2,2-dimethylbutanoate;4-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)OC(CC1CC2CC1C1C3CCC(C3)C21)(C(F)(F)F)C(F)(F)F.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OCC(O)CC(OC(C)(C)C)(C(F)(F)F)C(F)(F)F.CCC(C)c1ccc(C(C)(O)C(F)(F)F)cc1.CCOC(C)OC(CC1CC2CC1C1C3CCC(C3)C21)(C(F)(F)F)C(F)(F)F.FC(F)(F)C(CC1CC2CC1C1C3CCC(C3)C21)(OC1CCCCO1)C(F)(F)F.OC(CC1CC2CC1C1C3CCC(C3)C21)(C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C21H28F6O2.C20H28F6O2.C20H28F6O.C16H26F6O4.C16H20F6O.C13H17F3O.4C7H14O2.12CH4/c22-20(23,24)19(21(25,26)27,29-16-3-1-2-6-28-16)10-14-8-13-9-15(14)18-12-5-4-11(7-12)17(13)18;1-3-27-10(2)28-18(19(21,22)23,20(24,25)26)9-14-7-13-8-15(14)17-12-5-4-11(6-12)16(13)17;1-17(2,3)27-18(19(21,22)23,20(24,25)26)9-13-7-12-8-14(13)16-11-5-4-10(6-11)15(12)16;1-7-13(5,6)11(24)25-9-10(23)8-14(15(17,18)19,16(20,21)22)26-12(2,3)4;17-15(18,19)14(23,16(20,21)22)6-10-4-9-5-11(10)13-8-2-1-7(3-8)12(9)13;1-4-9(2)10-5-7-11(8-6-10)12(3,17)13(14,15)16;4*1-5-7(2,3)6(8)9-4;;;;;;;;;;;;/h11-18H,1-10H2;10-17H,3-9H2,1-2H3;10-16H,4-9H2,1-3H3;10,23H,7-9H2,1-6H3;7-13,23H,1-6H2;5-9,17H,4H2,1-3H3;4*5H2,1-4H3;12*1H4
• InChIKey: ZKVMUAPZULVZCZ-UHFFFAOYSA-N
• XLogP: 45.36
• TPSA: 247.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 33
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2937.53
LogP ≤ 5	45.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;4-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-ol;2-[1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-yl]oxyoxane;methane;tetrakis(methyl 2,2-dimethylbutanoate);[5,5,5-trifluoro-2-hydroxy-4-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)pentyl] 2,2-dimethylbutanoate;4-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane?

The IUPAC name of 2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;4-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-ol;2-[1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-yl]oxyoxane;methane;tetrakis(methyl 2,2-dimethylbutanoate);[5,5,5-trifluoro-2-hydroxy-4-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)pentyl] 2,2-dimethylbutanoate;4-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane (CID 162148155) is 2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;4-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-ol;2-[1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-yl]oxyoxane;methane;tetrakis(methyl 2,2-dimethylbutanoate);[5,5,5-trifluoro-2-hydroxy-4-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)pentyl] 2,2-dimethylbutanoate;4-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane.

What is the SMILES notation for 2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;4-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-ol;2-[1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-yl]oxyoxane;methane;tetrakis(methyl 2,2-dimethylbutanoate);[5,5,5-trifluoro-2-hydroxy-4-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)pentyl] 2,2-dimethylbutanoate;4-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane?

The canonical SMILES for 2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;4-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-ol;2-[1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-yl]oxyoxane;methane;tetrakis(methyl 2,2-dimethylbutanoate);[5,5,5-trifluoro-2-hydroxy-4-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)pentyl] 2,2-dimethylbutanoate;4-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane is C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)OC(CC1CC2CC1C1C3CCC(C3)C21)(C(F)(F)F)C(F)(F)F.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OC.CCC(C)(C)C(=O)OCC(O)CC(OC(C)(C)C)(C(F)(F)F)C(F)(F)F.CCC(C)c1ccc(C(C)(O)C(F)(F)F)cc1.CCOC(C)OC(CC1CC2CC1C1C3CCC(C3)C21)(C(F)(F)F)C(F)(F)F.FC(F)(F)C(CC1CC2CC1C1C3CCC(C3)C21)(OC1CCCCO1)C(F)(F)F.OC(CC1CC2CC1C1C3CCC(C3)C21)(C(F)(F)F)C(F)(F)F.

What is the InChIKey of 2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;4-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-ol;2-[1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-yl]oxyoxane;methane;tetrakis(methyl 2,2-dimethylbutanoate);[5,5,5-trifluoro-2-hydroxy-4-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)pentyl] 2,2-dimethylbutanoate;4-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane?

The InChIKey is ZKVMUAPZULVZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F6O2.C20H28F6O2.C20H28F6O.C16H26F6O4.C16H20F6O.C13H17F3O.4C7H14O2.12CH4/c22-20(23,24)19(21(25,26)27,29-16-3-1-2-6-28-16)10-14-8-13-9-15(14)18-12-5-4-11(7-12)17(13)18;1-3-27-10(2)28-18(19(21,22)23,20(24,25)26)9-14-7-13-8-15(14)17-12-5-4-11(6-12)16(13)17;1-17(2,3)27-18(19(21,22)23,20(24,25)26)9-13-7-12-8-14(13)16-11-5-4-10(6-11)15(12)16;1-7-13(5,6)11(24)25-9-10(23)8-14(15(17,18)19,16(20,21)22)26-12(2,3)4;17-15(18,19)14(23,16(20,21)22)6-10-4-9-5-11(10)13-8-2-1-7(3-8)12(9)13;1-4-9(2)10-5-7-11(8-6-10)12(3,17)13(14,15)16;4*1-5-7(2,3)6(8)9-4;;;;;;;;;;;;/h11-18H,1-10H2;10-17H,3-9H2,1-2H3;10-16H,4-9H2,1-3H3;10,23H,7-9H2,1-6H3;7-13,23H,1-6H2;5-9,17H,4H2,1-3H3;4*5H2,1-4H3;12*1H4.

What are the key properties of 2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;4-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-ol;2-[1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-yl]oxyoxane;methane;tetrakis(methyl 2,2-dimethylbutanoate);[5,5,5-trifluoro-2-hydroxy-4-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)pentyl] 2,2-dimethylbutanoate;4-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane?

2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;4-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-ol;2-[1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-yl]oxyoxane;methane;tetrakis(methyl 2,2-dimethylbutanoate);[5,5,5-trifluoro-2-hydroxy-4-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)pentyl] 2,2-dimethylbutanoate;4-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane has a molecular weight of 2937.53 g/mol, XLogP of 45.36, 33 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;4-[2-(1-ethoxyethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-ol;2-[1,1,1,3,3,3-hexafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl)propan-2-yl]oxyoxane;methane;tetrakis(methyl 2,2-dimethylbutanoate);[5,5,5-trifluoro-2-hydroxy-4-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)pentyl] 2,2-dimethylbutanoate;4-[3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane is sourced from PubChem (CID 162148155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).