(4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-fluoro-2-methylpropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 3,3,3-trifluoro-2,2-dimethylpropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate

C92H114F16O32 — CID 160913506

About (4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-fluoro-2-methylpropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 3,3,3-trifluoro-2,2-dimethylpropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate

(4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-fluoro-2-methylpropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 3,3,3-trifluoro-2,2-dimethylpropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate (PubChem CID 160913506) has the molecular formula C92H114F16O32 and a molecular weight of 2035.86 g/mol. Its IUPAC name is (4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-fluoro-2-methylpropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 3,3,3-trifluoro-2,2-dimethylpropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate.

Molecular Properties

• Compound Name: (4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-fluoro-2-methylpropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 3,3,3-trifluoro-2,2-dimethylpropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate
• PubChem CID: 160913506
• Molecular Formula: C92H114F16O32
• Molecular Weight: 2035.86 g/mol
• Exact Mass: 2034.70
• IUPAC Name: (4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-fluoro-2-methylpropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 3,3,3-trifluoro-2,2-dimethylpropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate
• SMILES: CC(C)(C(=O)OC1CCC2CC1OC2=O)C(F)(F)F.CC(C)(F)C(=O)OC1CCC2CC1OC2=O.CC(F)(F)C(=O)OC1(C)CCC2CC1(C)OC2=O.CC(F)(F)C(=O)OC1(C)CCC2CC1OC2=O.CC(F)(F)C(=O)OC1C2CC3C(=O)OC1(C)C3C2.CC(F)(F)C(=O)OC1C2CC3C(=O)OC1C3C2.CC(F)(F)C(=O)OC1C2OC(=O)C3CC1(C)CC32.CC1CC2CC(OC2=O)C1OC(=O)C(C)(F)F
• InChI: InChI=1S/C12H15F3O4.2C12H14F2O4.C12H16F2O4.C11H12F2O4.2C11H14F2O4.C11H15FO4/c1-11(2,12(13,14)15)10(17)19-7-4-3-6-5-8(7)18-9(6)16;1-11-3-5-6(4-11)9(15)17-7(5)8(11)18-10(16)12(2,13)14;1-11-7-4-5(3-6(7)9(15)18-11)8(11)17-10(16)12(2,13)14;1-10(18-9(16)12(3,13)14)5-4-7-6-11(10,2)17-8(7)15;1-11(12,13)10(15)17-7-4-2-5-6(3-4)9(14)16-8(5)7;1-5-3-6-4-7(16-9(6)14)8(5)17-10(15)11(2,12)13;1-10(17-9(15)11(2,12)13)4-3-6-5-7(10)16-8(6)14;1-11(2,12)10(14)16-7-4-3-6-5-8(7)15-9(6)13/h6-8H,3-5H2,1-2H3;2*5-8H,3-4H2,1-2H3;7H,4-6H2,1-3H3;4-8H,2-3H2,1H3;5-8H,3-4H2,1-2H3;6-7H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3
• InChIKey: SRCHGKVTEWXUIB-UHFFFAOYSA-N
• XLogP: 13.02
• TPSA: 420.80 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 16
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2035.86
LogP ≤ 5	13.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-fluoro-2-methylpropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 3,3,3-trifluoro-2,2-dimethylpropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate?

The IUPAC name of (4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-fluoro-2-methylpropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 3,3,3-trifluoro-2,2-dimethylpropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate (CID 160913506) is (4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-fluoro-2-methylpropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 3,3,3-trifluoro-2,2-dimethylpropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate.

What is the SMILES notation for (4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-fluoro-2-methylpropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 3,3,3-trifluoro-2,2-dimethylpropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate?

The canonical SMILES for (4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-fluoro-2-methylpropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 3,3,3-trifluoro-2,2-dimethylpropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate is CC(C)(C(=O)OC1CCC2CC1OC2=O)C(F)(F)F.CC(C)(F)C(=O)OC1CCC2CC1OC2=O.CC(F)(F)C(=O)OC1(C)CCC2CC1(C)OC2=O.CC(F)(F)C(=O)OC1(C)CCC2CC1OC2=O.CC(F)(F)C(=O)OC1C2CC3C(=O)OC1(C)C3C2.CC(F)(F)C(=O)OC1C2CC3C(=O)OC1C3C2.CC(F)(F)C(=O)OC1C2OC(=O)C3CC1(C)CC32.CC1CC2CC(OC2=O)C1OC(=O)C(C)(F)F.

What is the InChIKey of (4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-fluoro-2-methylpropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 3,3,3-trifluoro-2,2-dimethylpropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate?

The InChIKey is SRCHGKVTEWXUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O4.2C12H14F2O4.C12H16F2O4.C11H12F2O4.2C11H14F2O4.C11H15FO4/c1-11(2,12(13,14)15)10(17)19-7-4-3-6-5-8(7)18-9(6)16;1-11-3-5-6(4-11)9(15)17-7(5)8(11)18-10(16)12(2,13)14;1-11-7-4-5(3-6(7)9(15)18-11)8(11)17-10(16)12(2,13)14;1-10(18-9(16)12(3,13)14)5-4-7-6-11(10,2)17-8(7)15;1-11(12,13)10(15)17-7-4-2-5-6(3-4)9(14)16-8(5)7;1-5-3-6-4-7(16-9(6)14)8(5)17-10(15)11(2,12)13;1-10(17-9(15)11(2,12)13)4-3-6-5-7(10)16-8(6)14;1-11(2,12)10(14)16-7-4-3-6-5-8(7)15-9(6)13/h6-8H,3-5H2,1-2H3;2*5-8H,3-4H2,1-2H3;7H,4-6H2,1-3H3;4-8H,2-3H2,1H3;5-8H,3-4H2,1-2H3;6-7H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3.

What are the key properties of (4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-fluoro-2-methylpropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 3,3,3-trifluoro-2,2-dimethylpropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate?

(4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-fluoro-2-methylpropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 3,3,3-trifluoro-2,2-dimethylpropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate has a molecular weight of 2035.86 g/mol, XLogP of 13.02, 16 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (4,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(3-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(4-methyl-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2,2-difluoropropanoate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;(3-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-fluoro-2-methylpropanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 3,3,3-trifluoro-2,2-dimethylpropanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate is sourced from PubChem (CID 160913506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).