bis([3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methyl-2-(trifluoromethyl)butanoate);butan-2-yloxycyclohexane;1-butan-2-yl-2,3,4,5,6-pentafluorobenzene;tert-butyl 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2,2,2-trifluoroethyl 2,2-dimethylbutanoate;bis(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate)

C143H232F38O24 — CID 158353683

About bis([3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methyl-2-(trifluoromethyl)butanoate);butan-2-yloxycyclohexane;1-butan-2-yl-2,3,4,5,6-pentafluorobenzene;tert-butyl 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2,2,2-trifluoroethyl 2,2-dimethylbutanoate;bis(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate)

bis([3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methyl-2-(trifluoromethyl)butanoate);butan-2-yloxycyclohexane;1-butan-2-yl-2,3,4,5,6-pentafluorobenzene;tert-butyl 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2,2,2-trifluoroethyl 2,2-dimethylbutanoate;bis(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate) (PubChem CID 158353683) has the molecular formula C143H232F38O24 and a molecular weight of 3057.33 g/mol. Its IUPAC name is bis([3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methyl-2-(trifluoromethyl)butanoate);butan-2-yloxycyclohexane;1-butan-2-yl-2,3,4,5,6-pentafluorobenzene;tert-butyl 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2,2,2-trifluoroethyl 2,2-dimethylbutanoate;bis(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate).

Molecular Properties

• Compound Name: bis([3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methyl-2-(trifluoromethyl)butanoate);butan-2-yloxycyclohexane;1-butan-2-yl-2,3,4,5,6-pentafluorobenzene;tert-butyl 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2,2,2-trifluoroethyl 2,2-dimethylbutanoate;bis(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate)
• PubChem CID: 158353683
• Molecular Formula: C143H232F38O24
• Molecular Weight: 3057.33 g/mol
• Exact Mass: 3055.63
• IUPAC Name: bis([3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methyl-2-(trifluoromethyl)butanoate);butan-2-yloxycyclohexane;1-butan-2-yl-2,3,4,5,6-pentafluorobenzene;tert-butyl 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2,2,2-trifluoroethyl 2,2-dimethylbutanoate;bis(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate)
• SMILES: CC1C2CC(CC(C)(O)C(F)(F)F)C(C2)C1C.CCC(C)(C(=O)OC(C)(C)C)C(F)(F)F.CCC(C)(C(=O)OC1CC(C(C)(O)C(F)(F)F)CC(C(C)(O)C(F)(F)F)C1)C(F)(F)F.CCC(C)(C(=O)OC1CC(C(C)(O)C(F)(F)F)CC(C(C)(O)C(F)(F)F)C1)C(F)(F)F.CCC(C)(C)C(=O)OC(C)(C)C.CCC(C)(C)C(=O)OC(C)(C)C1CCCCC1.CCC(C)(C)C(=O)OC(C)C(F)(F)F.CCC(C)(C)C(=O)OC(C)C(F)(F)F.CCC(C)(C)C(=O)OCC(F)(F)F.CCC(C)OC1CCCCC1.CCC(C)c1c(F)c(F)c(F)c(F)c1F.CCC1(OC(=O)C(C)(C)CC)CCCC1
• InChI: InChI=1S/2C18H25F9O4.C15H28O2.C13H21F3O.C13H24O2.C10H9F5.C10H17F3O2.C10H20O2.C10H20O.2C9H15F3O2.C8H13F3O2/c2*1-5-13(2,16(19,20)21)12(28)31-11-7-9(14(3,29)17(22,23)24)6-10(8-11)15(4,30)18(25,26)27;1-6-14(2,3)13(16)17-15(4,5)12-10-8-7-9-11-12;1-7-8(2)11-5-9(7)4-10(11)6-12(3,17)13(14,15)16;1-5-12(3,4)11(14)15-13(6-2)9-7-8-10-13;1-3-4(2)5-6(11)8(13)10(15)9(14)7(5)12;1-6-9(5,10(11,12)13)7(14)15-8(2,3)4;1-7-10(5,6)8(11)12-9(2,3)4;1-3-9(2)11-10-7-5-4-6-8-10;2*1-5-8(3,4)7(13)14-6(2)9(10,11)12;1-4-7(2,3)6(12)13-5-8(9,10)11/h2*9-11,29-30H,5-8H2,1-4H3;12H,6-11H2,1-5H3;7-11,17H,4-6H2,1-3H3;5-10H2,1-4H3;4H,3H2,1-2H3;6H2,1-5H3;7H2,1-6H3;9-10H,3-8H2,1-2H3;2*6H,5H2,1-4H3;4-5H2,1-3H3
• InChIKey: GSPVHKAGOUKFTO-UHFFFAOYSA-N
• XLogP: 42.93
• TPSA: 347.08 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 38
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3057.33
LogP ≤ 5	42.93
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis([3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methyl-2-(trifluoromethyl)butanoate);butan-2-yloxycyclohexane;1-butan-2-yl-2,3,4,5,6-pentafluorobenzene;tert-butyl 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2,2,2-trifluoroethyl 2,2-dimethylbutanoate;bis(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate)?

The IUPAC name of bis([3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methyl-2-(trifluoromethyl)butanoate);butan-2-yloxycyclohexane;1-butan-2-yl-2,3,4,5,6-pentafluorobenzene;tert-butyl 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2,2,2-trifluoroethyl 2,2-dimethylbutanoate;bis(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate) (CID 158353683) is bis([3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methyl-2-(trifluoromethyl)butanoate);butan-2-yloxycyclohexane;1-butan-2-yl-2,3,4,5,6-pentafluorobenzene;tert-butyl 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2,2,2-trifluoroethyl 2,2-dimethylbutanoate;bis(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate).

What is the SMILES notation for bis([3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methyl-2-(trifluoromethyl)butanoate);butan-2-yloxycyclohexane;1-butan-2-yl-2,3,4,5,6-pentafluorobenzene;tert-butyl 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2,2,2-trifluoroethyl 2,2-dimethylbutanoate;bis(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate)?

The canonical SMILES for bis([3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methyl-2-(trifluoromethyl)butanoate);butan-2-yloxycyclohexane;1-butan-2-yl-2,3,4,5,6-pentafluorobenzene;tert-butyl 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2,2,2-trifluoroethyl 2,2-dimethylbutanoate;bis(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate) is CC1C2CC(CC(C)(O)C(F)(F)F)C(C2)C1C.CCC(C)(C(=O)OC(C)(C)C)C(F)(F)F.CCC(C)(C(=O)OC1CC(C(C)(O)C(F)(F)F)CC(C(C)(O)C(F)(F)F)C1)C(F)(F)F.CCC(C)(C(=O)OC1CC(C(C)(O)C(F)(F)F)CC(C(C)(O)C(F)(F)F)C1)C(F)(F)F.CCC(C)(C)C(=O)OC(C)(C)C.CCC(C)(C)C(=O)OC(C)(C)C1CCCCC1.CCC(C)(C)C(=O)OC(C)C(F)(F)F.CCC(C)(C)C(=O)OC(C)C(F)(F)F.CCC(C)(C)C(=O)OCC(F)(F)F.CCC(C)OC1CCCCC1.CCC(C)c1c(F)c(F)c(F)c(F)c1F.CCC1(OC(=O)C(C)(C)CC)CCCC1.

What is the InChIKey of bis([3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methyl-2-(trifluoromethyl)butanoate);butan-2-yloxycyclohexane;1-butan-2-yl-2,3,4,5,6-pentafluorobenzene;tert-butyl 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2,2,2-trifluoroethyl 2,2-dimethylbutanoate;bis(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate)?

The InChIKey is GSPVHKAGOUKFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H25F9O4.C15H28O2.C13H21F3O.C13H24O2.C10H9F5.C10H17F3O2.C10H20O2.C10H20O.2C9H15F3O2.C8H13F3O2/c2*1-5-13(2,16(19,20)21)12(28)31-11-7-9(14(3,29)17(22,23)24)6-10(8-11)15(4,30)18(25,26)27;1-6-14(2,3)13(16)17-15(4,5)12-10-8-7-9-11-12;1-7-8(2)11-5-9(7)4-10(11)6-12(3,17)13(14,15)16;1-5-12(3,4)11(14)15-13(6-2)9-7-8-10-13;1-3-4(2)5-6(11)8(13)10(15)9(14)7(5)12;1-6-9(5,10(11,12)13)7(14)15-8(2,3)4;1-7-10(5,6)8(11)12-9(2,3)4;1-3-9(2)11-10-7-5-4-6-8-10;2*1-5-8(3,4)7(13)14-6(2)9(10,11)12;1-4-7(2,3)6(12)13-5-8(9,10)11/h2*9-11,29-30H,5-8H2,1-4H3;12H,6-11H2,1-5H3;7-11,17H,4-6H2,1-3H3;5-10H2,1-4H3;4H,3H2,1-2H3;6H2,1-5H3;7H2,1-6H3;9-10H,3-8H2,1-2H3;2*6H,5H2,1-4H3;4-5H2,1-3H3.

What are the key properties of bis([3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methyl-2-(trifluoromethyl)butanoate);butan-2-yloxycyclohexane;1-butan-2-yl-2,3,4,5,6-pentafluorobenzene;tert-butyl 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2,2,2-trifluoroethyl 2,2-dimethylbutanoate;bis(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate)?

bis([3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methyl-2-(trifluoromethyl)butanoate);butan-2-yloxycyclohexane;1-butan-2-yl-2,3,4,5,6-pentafluorobenzene;tert-butyl 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2,2,2-trifluoroethyl 2,2-dimethylbutanoate;bis(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate) has a molecular weight of 3057.33 g/mol, XLogP of 42.93, 38 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for bis([3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methyl-2-(trifluoromethyl)butanoate);butan-2-yloxycyclohexane;1-butan-2-yl-2,3,4,5,6-pentafluorobenzene;tert-butyl 2,2-dimethylbutanoate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2,2,2-trifluoroethyl 2,2-dimethylbutanoate;bis(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate) is sourced from PubChem (CID 158353683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).