bis(1,1,1,3,3,3-hexafluoropropan-2-yl) 2-ethyl-2-methylpropanedioate;(4-tert-butylcyclohexyl) 2,2-dimethylbutanoate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;bis(1,1,1,3,3,3-hexafluoropropan-2-yl 2,2-dimethylbutanoate);(2-oxooxolan-3-yl) 2,2-dimethylbutanoate

C85H116F24N2O22 — CID 159344854

About bis(1,1,1,3,3,3-hexafluoropropan-2-yl) 2-ethyl-2-methylpropanedioate;(4-tert-butylcyclohexyl) 2,2-dimethylbutanoate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;bis(1,1,1,3,3,3-hexafluoropropan-2-yl 2,2-dimethylbutanoate);(2-oxooxolan-3-yl) 2,2-dimethylbutanoate

bis(1,1,1,3,3,3-hexafluoropropan-2-yl) 2-ethyl-2-methylpropanedioate;(4-tert-butylcyclohexyl) 2,2-dimethylbutanoate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;bis(1,1,1,3,3,3-hexafluoropropan-2-yl 2,2-dimethylbutanoate);(2-oxooxolan-3-yl) 2,2-dimethylbutanoate (PubChem CID 159344854) has the molecular formula C85H116F24N2O22 and a molecular weight of 1973.81 g/mol. Its IUPAC name is bis(1,1,1,3,3,3-hexafluoropropan-2-yl) 2-ethyl-2-methylpropanedioate;(4-tert-butylcyclohexyl) 2,2-dimethylbutanoate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;bis(1,1,1,3,3,3-hexafluoropropan-2-yl 2,2-dimethylbutanoate);(2-oxooxolan-3-yl) 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: bis(1,1,1,3,3,3-hexafluoropropan-2-yl) 2-ethyl-2-methylpropanedioate;(4-tert-butylcyclohexyl) 2,2-dimethylbutanoate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;bis(1,1,1,3,3,3-hexafluoropropan-2-yl 2,2-dimethylbutanoate);(2-oxooxolan-3-yl) 2,2-dimethylbutanoate
• PubChem CID: 159344854
• Molecular Formula: C85H116F24N2O22
• Molecular Weight: 1973.81 g/mol
• Exact Mass: 1972.76
• IUPAC Name: bis(1,1,1,3,3,3-hexafluoropropan-2-yl) 2-ethyl-2-methylpropanedioate;(4-tert-butylcyclohexyl) 2,2-dimethylbutanoate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;bis(1,1,1,3,3,3-hexafluoropropan-2-yl 2,2-dimethylbutanoate);(2-oxooxolan-3-yl) 2,2-dimethylbutanoate
• SMILES: CCC(C)(C(=O)OC(C(F)(F)F)C(F)(F)F)C(=O)OC(C(F)(F)F)C(F)(F)F.CCC(C)(C)C(=O)OC(C(F)(F)F)C(F)(F)F.CCC(C)(C)C(=O)OC(C(F)(F)F)C(F)(F)F.CCC(C)(C)C(=O)OC1C2CC3C1OC(=O)C3(C#N)C2.CCC(C)(C)C(=O)OC1CCC(C(C)(C)C)CC1.CCC(C)(C)C(=O)OC1CCOC1=O.CCC(C)C(=O)OC1C2CC3C1OC(=O)C3(C#N)C2
• InChI: InChI=1S/C16H30O2.C15H19NO4.C14H17NO4.C12H10F12O4.C10H16O4.2C9H12F6O2/c1-7-16(5,6)14(17)18-13-10-8-12(9-11-13)15(2,3)4;1-4-14(2,3)12(17)19-10-8-5-9-11(10)20-13(18)15(9,6-8)7-16;1-3-7(2)12(16)18-10-8-4-9-11(10)19-13(17)14(9,5-8)6-15;1-3-8(2,6(25)27-4(9(13,14)15)10(16,17)18)7(26)28-5(11(19,20)21)12(22,23)24;1-4-10(2,3)9(12)14-7-5-6-13-8(7)11;2*1-4-7(2,3)6(16)17-5(8(10,11)12)9(13,14)15/h12-13H,7-11H2,1-6H3;8-11H,4-6H2,1-3H3;7-11H,3-5H2,1-2H3;4-5H,3H2,1-2H3;7H,4-6H2,1-3H3;2*5H,4H2,1-3H3
• InChIKey: LGPBFEHXFJOECK-UHFFFAOYSA-N
• XLogP: 20.47
• TPSA: 336.88 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 23
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1973.81
LogP ≤ 5	20.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(1,1,1,3,3,3-hexafluoropropan-2-yl) 2-ethyl-2-methylpropanedioate;(4-tert-butylcyclohexyl) 2,2-dimethylbutanoate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;bis(1,1,1,3,3,3-hexafluoropropan-2-yl 2,2-dimethylbutanoate);(2-oxooxolan-3-yl) 2,2-dimethylbutanoate?

The IUPAC name of bis(1,1,1,3,3,3-hexafluoropropan-2-yl) 2-ethyl-2-methylpropanedioate;(4-tert-butylcyclohexyl) 2,2-dimethylbutanoate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;bis(1,1,1,3,3,3-hexafluoropropan-2-yl 2,2-dimethylbutanoate);(2-oxooxolan-3-yl) 2,2-dimethylbutanoate (CID 159344854) is bis(1,1,1,3,3,3-hexafluoropropan-2-yl) 2-ethyl-2-methylpropanedioate;(4-tert-butylcyclohexyl) 2,2-dimethylbutanoate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;bis(1,1,1,3,3,3-hexafluoropropan-2-yl 2,2-dimethylbutanoate);(2-oxooxolan-3-yl) 2,2-dimethylbutanoate.

What is the SMILES notation for bis(1,1,1,3,3,3-hexafluoropropan-2-yl) 2-ethyl-2-methylpropanedioate;(4-tert-butylcyclohexyl) 2,2-dimethylbutanoate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;bis(1,1,1,3,3,3-hexafluoropropan-2-yl 2,2-dimethylbutanoate);(2-oxooxolan-3-yl) 2,2-dimethylbutanoate?

The canonical SMILES for bis(1,1,1,3,3,3-hexafluoropropan-2-yl) 2-ethyl-2-methylpropanedioate;(4-tert-butylcyclohexyl) 2,2-dimethylbutanoate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;bis(1,1,1,3,3,3-hexafluoropropan-2-yl 2,2-dimethylbutanoate);(2-oxooxolan-3-yl) 2,2-dimethylbutanoate is CCC(C)(C(=O)OC(C(F)(F)F)C(F)(F)F)C(=O)OC(C(F)(F)F)C(F)(F)F.CCC(C)(C)C(=O)OC(C(F)(F)F)C(F)(F)F.CCC(C)(C)C(=O)OC(C(F)(F)F)C(F)(F)F.CCC(C)(C)C(=O)OC1C2CC3C1OC(=O)C3(C#N)C2.CCC(C)(C)C(=O)OC1CCC(C(C)(C)C)CC1.CCC(C)(C)C(=O)OC1CCOC1=O.CCC(C)C(=O)OC1C2CC3C1OC(=O)C3(C#N)C2.

What is the InChIKey of bis(1,1,1,3,3,3-hexafluoropropan-2-yl) 2-ethyl-2-methylpropanedioate;(4-tert-butylcyclohexyl) 2,2-dimethylbutanoate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;bis(1,1,1,3,3,3-hexafluoropropan-2-yl 2,2-dimethylbutanoate);(2-oxooxolan-3-yl) 2,2-dimethylbutanoate?

The InChIKey is LGPBFEHXFJOECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2.C15H19NO4.C14H17NO4.C12H10F12O4.C10H16O4.2C9H12F6O2/c1-7-16(5,6)14(17)18-13-10-8-12(9-11-13)15(2,3)4;1-4-14(2,3)12(17)19-10-8-5-9-11(10)20-13(18)15(9,6-8)7-16;1-3-7(2)12(16)18-10-8-4-9-11(10)19-13(17)14(9,5-8)6-15;1-3-8(2,6(25)27-4(9(13,14)15)10(16,17)18)7(26)28-5(11(19,20)21)12(22,23)24;1-4-10(2,3)9(12)14-7-5-6-13-8(7)11;2*1-4-7(2,3)6(16)17-5(8(10,11)12)9(13,14)15/h12-13H,7-11H2,1-6H3;8-11H,4-6H2,1-3H3;7-11H,3-5H2,1-2H3;4-5H,3H2,1-2H3;7H,4-6H2,1-3H3;2*5H,4H2,1-3H3.

What are the key properties of bis(1,1,1,3,3,3-hexafluoropropan-2-yl) 2-ethyl-2-methylpropanedioate;(4-tert-butylcyclohexyl) 2,2-dimethylbutanoate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;bis(1,1,1,3,3,3-hexafluoropropan-2-yl 2,2-dimethylbutanoate);(2-oxooxolan-3-yl) 2,2-dimethylbutanoate?

bis(1,1,1,3,3,3-hexafluoropropan-2-yl) 2-ethyl-2-methylpropanedioate;(4-tert-butylcyclohexyl) 2,2-dimethylbutanoate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;bis(1,1,1,3,3,3-hexafluoropropan-2-yl 2,2-dimethylbutanoate);(2-oxooxolan-3-yl) 2,2-dimethylbutanoate has a molecular weight of 1973.81 g/mol, XLogP of 20.47, 23 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1,1,1,3,3,3-hexafluoropropan-2-yl) 2-ethyl-2-methylpropanedioate;(4-tert-butylcyclohexyl) 2,2-dimethylbutanoate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;bis(1,1,1,3,3,3-hexafluoropropan-2-yl 2,2-dimethylbutanoate);(2-oxooxolan-3-yl) 2,2-dimethylbutanoate is sourced from PubChem (CID 159344854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).