3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-cyclopentyl-2-hydroxy-2-methylpropyl) 2-methylbutanoate;[3,3-difluoro-6-hydroxy-2,6-dimethyl-2-(trifluoromethyl)oxan-4-yl] 2-methylbutanoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylbutanoate;(3-hydroxy-2,3-dimethylbutan-2-yl) 2-methylbutanoate;(2-hydroxy-2,4-dimethylpentan-3-yl) 2-methylbutanoate;(2-hydroxy-2-methylpentan-3-yl) 2-methylbutanoate;(2-hydroxy-2-methylpropyl) 2-methylbutanoate;[1-(2-hydroxypropan-2-yl)cyclopentyl] 2-methylbutanoate;methane;methyl 2-methylbutanoate;2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]oxyethyl 2-methylbutanoate

C148H301F23O34 — CID 157324761

About 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-cyclopentyl-2-hydroxy-2-methylpropyl) 2-methylbutanoate;[3,3-difluoro-6-hydroxy-2,6-dimethyl-2-(trifluoromethyl)oxan-4-yl] 2-methylbutanoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylbutanoate;(3-hydroxy-2,3-dimethylbutan-2-yl) 2-methylbutanoate;(2-hydroxy-2,4-dimethylpentan-3-yl) 2-methylbutanoate;(2-hydroxy-2-methylpentan-3-yl) 2-methylbutanoate;(2-hydroxy-2-methylpropyl) 2-methylbutanoate;[1-(2-hydroxypropan-2-yl)cyclopentyl] 2-methylbutanoate;methane;methyl 2-methylbutanoate;2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]oxyethyl 2-methylbutanoate

3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-cyclopentyl-2-hydroxy-2-methylpropyl) 2-methylbutanoate;[3,3-difluoro-6-hydroxy-2,6-dimethyl-2-(trifluoromethyl)oxan-4-yl] 2-methylbutanoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylbutanoate;(3-hydroxy-2,3-dimethylbutan-2-yl) 2-methylbutanoate;(2-hydroxy-2,4-dimethylpentan-3-yl) 2-methylbutanoate;(2-hydroxy-2-methylpentan-3-yl) 2-methylbutanoate;(2-hydroxy-2-methylpropyl) 2-methylbutanoate;[1-(2-hydroxypropan-2-yl)cyclopentyl] 2-methylbutanoate;methane;methyl 2-methylbutanoate;2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]oxyethyl 2-methylbutanoate (PubChem CID 157324761) has the molecular formula C148H301F23O34 and a molecular weight of 3061.96 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-cyclopentyl-2-hydroxy-2-methylpropyl) 2-methylbutanoate;[3,3-difluoro-6-hydroxy-2,6-dimethyl-2-(trifluoromethyl)oxan-4-yl] 2-methylbutanoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylbutanoate;(3-hydroxy-2,3-dimethylbutan-2-yl) 2-methylbutanoate;(2-hydroxy-2,4-dimethylpentan-3-yl) 2-methylbutanoate;(2-hydroxy-2-methylpentan-3-yl) 2-methylbutanoate;(2-hydroxy-2-methylpropyl) 2-methylbutanoate;[1-(2-hydroxypropan-2-yl)cyclopentyl] 2-methylbutanoate;methane;methyl 2-methylbutanoate;2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]oxyethyl 2-methylbutanoate.

Molecular Properties

• Compound Name: 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-cyclopentyl-2-hydroxy-2-methylpropyl) 2-methylbutanoate;[3,3-difluoro-6-hydroxy-2,6-dimethyl-2-(trifluoromethyl)oxan-4-yl] 2-methylbutanoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylbutanoate;(3-hydroxy-2,3-dimethylbutan-2-yl) 2-methylbutanoate;(2-hydroxy-2,4-dimethylpentan-3-yl) 2-methylbutanoate;(2-hydroxy-2-methylpentan-3-yl) 2-methylbutanoate;(2-hydroxy-2-methylpropyl) 2-methylbutanoate;[1-(2-hydroxypropan-2-yl)cyclopentyl] 2-methylbutanoate;methane;methyl 2-methylbutanoate;2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]oxyethyl 2-methylbutanoate
• PubChem CID: 157324761
• Molecular Formula: C148H301F23O34
• Molecular Weight: 3061.96 g/mol
• Exact Mass: 3060.15
• IUPAC Name: 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-cyclopentyl-2-hydroxy-2-methylpropyl) 2-methylbutanoate;[3,3-difluoro-6-hydroxy-2,6-dimethyl-2-(trifluoromethyl)oxan-4-yl] 2-methylbutanoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylbutanoate;(3-hydroxy-2,3-dimethylbutan-2-yl) 2-methylbutanoate;(2-hydroxy-2,4-dimethylpentan-3-yl) 2-methylbutanoate;(2-hydroxy-2-methylpentan-3-yl) 2-methylbutanoate;(2-hydroxy-2-methylpropyl) 2-methylbutanoate;[1-(2-hydroxypropan-2-yl)cyclopentyl] 2-methylbutanoate;methane;methyl 2-methylbutanoate;2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]oxyethyl 2-methylbutanoate
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(O)(CC1CC2CCC1C2)C(F)(F)F.CCC(C)C(=O)OC.CCC(C)C(=O)OC(C(C)C)C(C)(C)O.CCC(C)C(=O)OC(C)(C)C(C)(C)O.CCC(C)C(=O)OC(C1CCCC1)C(C)(C)O.CCC(C)C(=O)OC(CC)C(C)(C)O.CCC(C)C(=O)OC1(C(C)(C)O)CCCC1.CCC(C)C(=O)OC1CC(C(C)(O)C(F)(F)F)CC(C(O)(C(F)(F)F)C(F)(F)F)C1.CCC(C)C(=O)OC1CC(C)(O)OC(C)(C(F)(F)F)C1(F)F.CCC(C)C(=O)OCC(C)(C)O.CCC(C)C(=O)OCCOC(=O)C(O)(C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C17H23F9O4.C14H26O3.C13H19F5O4.C13H24O3.C12H24O3.C11H14F6O5.C11H17F3O.2C11H22O3.C9H18O3.C6H12O2.20CH4/c1-4-8(2)12(27)30-11-6-9(13(3,28)15(18,19)20)5-10(7-11)14(29,16(21,22)23)17(24,25)26;1-5-10(2)13(15)17-12(14(3,4)16)11-8-6-7-9-11;1-5-7(2)9(19)21-8-6-10(3,20)22-11(4,12(8,14)15)13(16,17)18;1-5-10(2)11(14)16-13(12(3,4)15)8-6-7-9-13;1-7-9(4)11(13)15-10(8(2)3)12(5,6)14;1-3-6(2)7(18)21-4-5-22-8(19)9(20,10(12,13)14)11(15,16)17;1-10(15,11(12,13)14)6-9-5-7-2-3-8(9)4-7;1-7-8(2)9(12)14-11(5,6)10(3,4)13;1-6-8(3)10(12)14-9(7-2)11(4,5)13;1-5-7(2)8(10)12-6-9(3,4)11;1-4-5(2)6(7)8-3;;;;;;;;;;;;;;;;;;;;/h8-11,28-29H,4-7H2,1-3H3;10-12,16H,5-9H2,1-4H3;7-8,20H,5-6H2,1-4H3;10,15H,5-9H2,1-4H3;8-10,14H,7H2,1-6H3;6,20H,3-5H2,1-2H3;7-9,15H,2-6H2,1H3;8,13H,7H2,1-6H3;8-9,13H,6-7H2,1-5H3;7,11H,5-6H2,1-4H3;5H,4H2,1-3H3;20*1H4
• InChIKey: BEOVDSNMTJOFCP-UHFFFAOYSA-N
• XLogP: 40.12
• TPSA: 521.06 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 34
• Rotatable Bonds: 45
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3061.96
LogP ≤ 5	40.12
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-cyclopentyl-2-hydroxy-2-methylpropyl) 2-methylbutanoate;[3,3-difluoro-6-hydroxy-2,6-dimethyl-2-(trifluoromethyl)oxan-4-yl] 2-methylbutanoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylbutanoate;(3-hydroxy-2,3-dimethylbutan-2-yl) 2-methylbutanoate;(2-hydroxy-2,4-dimethylpentan-3-yl) 2-methylbutanoate;(2-hydroxy-2-methylpentan-3-yl) 2-methylbutanoate;(2-hydroxy-2-methylpropyl) 2-methylbutanoate;[1-(2-hydroxypropan-2-yl)cyclopentyl] 2-methylbutanoate;methane;methyl 2-methylbutanoate;2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]oxyethyl 2-methylbutanoate?

The IUPAC name of 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-cyclopentyl-2-hydroxy-2-methylpropyl) 2-methylbutanoate;[3,3-difluoro-6-hydroxy-2,6-dimethyl-2-(trifluoromethyl)oxan-4-yl] 2-methylbutanoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylbutanoate;(3-hydroxy-2,3-dimethylbutan-2-yl) 2-methylbutanoate;(2-hydroxy-2,4-dimethylpentan-3-yl) 2-methylbutanoate;(2-hydroxy-2-methylpentan-3-yl) 2-methylbutanoate;(2-hydroxy-2-methylpropyl) 2-methylbutanoate;[1-(2-hydroxypropan-2-yl)cyclopentyl] 2-methylbutanoate;methane;methyl 2-methylbutanoate;2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]oxyethyl 2-methylbutanoate (CID 157324761) is 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-cyclopentyl-2-hydroxy-2-methylpropyl) 2-methylbutanoate;[3,3-difluoro-6-hydroxy-2,6-dimethyl-2-(trifluoromethyl)oxan-4-yl] 2-methylbutanoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylbutanoate;(3-hydroxy-2,3-dimethylbutan-2-yl) 2-methylbutanoate;(2-hydroxy-2,4-dimethylpentan-3-yl) 2-methylbutanoate;(2-hydroxy-2-methylpentan-3-yl) 2-methylbutanoate;(2-hydroxy-2-methylpropyl) 2-methylbutanoate;[1-(2-hydroxypropan-2-yl)cyclopentyl] 2-methylbutanoate;methane;methyl 2-methylbutanoate;2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]oxyethyl 2-methylbutanoate.

What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-cyclopentyl-2-hydroxy-2-methylpropyl) 2-methylbutanoate;[3,3-difluoro-6-hydroxy-2,6-dimethyl-2-(trifluoromethyl)oxan-4-yl] 2-methylbutanoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylbutanoate;(3-hydroxy-2,3-dimethylbutan-2-yl) 2-methylbutanoate;(2-hydroxy-2,4-dimethylpentan-3-yl) 2-methylbutanoate;(2-hydroxy-2-methylpentan-3-yl) 2-methylbutanoate;(2-hydroxy-2-methylpropyl) 2-methylbutanoate;[1-(2-hydroxypropan-2-yl)cyclopentyl] 2-methylbutanoate;methane;methyl 2-methylbutanoate;2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]oxyethyl 2-methylbutanoate?

The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-cyclopentyl-2-hydroxy-2-methylpropyl) 2-methylbutanoate;[3,3-difluoro-6-hydroxy-2,6-dimethyl-2-(trifluoromethyl)oxan-4-yl] 2-methylbutanoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylbutanoate;(3-hydroxy-2,3-dimethylbutan-2-yl) 2-methylbutanoate;(2-hydroxy-2,4-dimethylpentan-3-yl) 2-methylbutanoate;(2-hydroxy-2-methylpentan-3-yl) 2-methylbutanoate;(2-hydroxy-2-methylpropyl) 2-methylbutanoate;[1-(2-hydroxypropan-2-yl)cyclopentyl] 2-methylbutanoate;methane;methyl 2-methylbutanoate;2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]oxyethyl 2-methylbutanoate is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(O)(CC1CC2CCC1C2)C(F)(F)F.CCC(C)C(=O)OC.CCC(C)C(=O)OC(C(C)C)C(C)(C)O.CCC(C)C(=O)OC(C)(C)C(C)(C)O.CCC(C)C(=O)OC(C1CCCC1)C(C)(C)O.CCC(C)C(=O)OC(CC)C(C)(C)O.CCC(C)C(=O)OC1(C(C)(C)O)CCCC1.CCC(C)C(=O)OC1CC(C(C)(O)C(F)(F)F)CC(C(O)(C(F)(F)F)C(F)(F)F)C1.CCC(C)C(=O)OC1CC(C)(O)OC(C)(C(F)(F)F)C1(F)F.CCC(C)C(=O)OCC(C)(C)O.CCC(C)C(=O)OCCOC(=O)C(O)(C(F)(F)F)C(F)(F)F.

What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-cyclopentyl-2-hydroxy-2-methylpropyl) 2-methylbutanoate;[3,3-difluoro-6-hydroxy-2,6-dimethyl-2-(trifluoromethyl)oxan-4-yl] 2-methylbutanoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylbutanoate;(3-hydroxy-2,3-dimethylbutan-2-yl) 2-methylbutanoate;(2-hydroxy-2,4-dimethylpentan-3-yl) 2-methylbutanoate;(2-hydroxy-2-methylpentan-3-yl) 2-methylbutanoate;(2-hydroxy-2-methylpropyl) 2-methylbutanoate;[1-(2-hydroxypropan-2-yl)cyclopentyl] 2-methylbutanoate;methane;methyl 2-methylbutanoate;2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]oxyethyl 2-methylbutanoate?

The InChIKey is BEOVDSNMTJOFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F9O4.C14H26O3.C13H19F5O4.C13H24O3.C12H24O3.C11H14F6O5.C11H17F3O.2C11H22O3.C9H18O3.C6H12O2.20CH4/c1-4-8(2)12(27)30-11-6-9(13(3,28)15(18,19)20)5-10(7-11)14(29,16(21,22)23)17(24,25)26;1-5-10(2)13(15)17-12(14(3,4)16)11-8-6-7-9-11;1-5-7(2)9(19)21-8-6-10(3,20)22-11(4,12(8,14)15)13(16,17)18;1-5-10(2)11(14)16-13(12(3,4)15)8-6-7-9-13;1-7-9(4)11(13)15-10(8(2)3)12(5,6)14;1-3-6(2)7(18)21-4-5-22-8(19)9(20,10(12,13)14)11(15,16)17;1-10(15,11(12,13)14)6-9-5-7-2-3-8(9)4-7;1-7-8(2)9(12)14-11(5,6)10(3,4)13;1-6-8(3)10(12)14-9(7-2)11(4,5)13;1-5-7(2)8(10)12-6-9(3,4)11;1-4-5(2)6(7)8-3;;;;;;;;;;;;;;;;;;;;/h8-11,28-29H,4-7H2,1-3H3;10-12,16H,5-9H2,1-4H3;7-8,20H,5-6H2,1-4H3;10,15H,5-9H2,1-4H3;8-10,14H,7H2,1-6H3;6,20H,3-5H2,1-2H3;7-9,15H,2-6H2,1H3;8,13H,7H2,1-6H3;8-9,13H,6-7H2,1-5H3;7,11H,5-6H2,1-4H3;5H,4H2,1-3H3;20*1H4.

What are the key properties of 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-cyclopentyl-2-hydroxy-2-methylpropyl) 2-methylbutanoate;[3,3-difluoro-6-hydroxy-2,6-dimethyl-2-(trifluoromethyl)oxan-4-yl] 2-methylbutanoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylbutanoate;(3-hydroxy-2,3-dimethylbutan-2-yl) 2-methylbutanoate;(2-hydroxy-2,4-dimethylpentan-3-yl) 2-methylbutanoate;(2-hydroxy-2-methylpentan-3-yl) 2-methylbutanoate;(2-hydroxy-2-methylpropyl) 2-methylbutanoate;[1-(2-hydroxypropan-2-yl)cyclopentyl] 2-methylbutanoate;methane;methyl 2-methylbutanoate;2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]oxyethyl 2-methylbutanoate?

3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-cyclopentyl-2-hydroxy-2-methylpropyl) 2-methylbutanoate;[3,3-difluoro-6-hydroxy-2,6-dimethyl-2-(trifluoromethyl)oxan-4-yl] 2-methylbutanoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylbutanoate;(3-hydroxy-2,3-dimethylbutan-2-yl) 2-methylbutanoate;(2-hydroxy-2,4-dimethylpentan-3-yl) 2-methylbutanoate;(2-hydroxy-2-methylpentan-3-yl) 2-methylbutanoate;(2-hydroxy-2-methylpropyl) 2-methylbutanoate;[1-(2-hydroxypropan-2-yl)cyclopentyl] 2-methylbutanoate;methane;methyl 2-methylbutanoate;2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]oxyethyl 2-methylbutanoate has a molecular weight of 3061.96 g/mol, XLogP of 40.12, 45 rotatable bonds, 11 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-cyclopentyl-2-hydroxy-2-methylpropyl) 2-methylbutanoate;[3,3-difluoro-6-hydroxy-2,6-dimethyl-2-(trifluoromethyl)oxan-4-yl] 2-methylbutanoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylbutanoate;(3-hydroxy-2,3-dimethylbutan-2-yl) 2-methylbutanoate;(2-hydroxy-2,4-dimethylpentan-3-yl) 2-methylbutanoate;(2-hydroxy-2-methylpentan-3-yl) 2-methylbutanoate;(2-hydroxy-2-methylpropyl) 2-methylbutanoate;[1-(2-hydroxypropan-2-yl)cyclopentyl] 2-methylbutanoate;methane;methyl 2-methylbutanoate;2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]oxyethyl 2-methylbutanoate is sourced from PubChem (CID 157324761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).