methane;[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxan-3-yl)oxyethyl] 2,2-difluoropropanoate;tetrakis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate);[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-fluoro-2-methylpropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate

C109H140F16O48 — CID 161102715

About methane;[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxan-3-yl)oxyethyl] 2,2-difluoropropanoate;tetrakis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate);[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-fluoro-2-methylpropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate

methane;[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxan-3-yl)oxyethyl] 2,2-difluoropropanoate;tetrakis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate);[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-fluoro-2-methylpropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate (PubChem CID 161102715) has the molecular formula C109H140F16O48 and a molecular weight of 2522.24 g/mol. Its IUPAC name is methane;[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxan-3-yl)oxyethyl] 2,2-difluoropropanoate;tetrakis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate);[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-fluoro-2-methylpropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: methane;[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxan-3-yl)oxyethyl] 2,2-difluoropropanoate;tetrakis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate);[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-fluoro-2-methylpropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate
• PubChem CID: 161102715
• Molecular Formula: C109H140F16O48
• Molecular Weight: 2522.24 g/mol
• Exact Mass: 2520.83
• IUPAC Name: methane;[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxan-3-yl)oxyethyl] 2,2-difluoropropanoate;tetrakis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate);[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-fluoro-2-methylpropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate
• SMILES: C.C.C.C.C.C.CC(C)(C(=O)OCC(=O)OC1C2CC3C(=O)OC1C3C2)C(F)(F)F.CC(C)(F)C(=O)OCC(=O)OC1C2CC3C(=O)OC1C3C2.CC(F)(F)C(=O)OCC(=O)OC1C2CC3C(=O)OC1C3C2.CC(F)(F)C(=O)OCC(=O)OC1C2CC3C(=O)OC1C3C2.CC(F)(F)C(=O)OCC(=O)OC1C2CC3C(=O)OC1C3C2.CC(F)(F)C(=O)OCC(=O)OC1C2CC3C(=O)OC1C3C2.CC(F)(F)C(=O)OCC(=O)OC1CCC2CC1OC2=O.CC(F)(F)C(=O)OCC(=O)OC1CCCOC1=O
• InChI: InChI=1S/C15H17F3O6.C14H17FO6.4C13H14F2O6.C12H14F2O6.C10H12F2O6.6CH4/c1-14(2,15(16,17)18)13(21)22-5-9(19)23-10-6-3-7-8(4-6)12(20)24-11(7)10;1-14(2,15)13(18)19-5-9(16)20-10-6-3-7-8(4-6)12(17)21-11(7)10;4*1-13(14,15)12(18)19-4-8(16)20-9-5-2-6-7(3-5)11(17)21-10(6)9;1-12(13,14)11(17)18-5-9(15)19-7-3-2-6-4-8(7)20-10(6)16;1-10(11,12)9(15)17-5-7(13)18-6-3-2-4-16-8(6)14;;;;;;/h6-8,10-11H,3-5H2,1-2H3;6-8,10-11H,3-5H2,1-2H3;4*5-7,9-10H,2-4H2,1H3;6-8H,2-5H2,1H3;6H,2-5H2,1H3;6*1H4
• InChIKey: UIQJFRGPVSTJOY-UHFFFAOYSA-N
• XLogP: 10.17
• TPSA: 631.20 Ų
• H-Bond Acceptors: 48
• Rotatable Bonds: 32
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2522.24
LogP ≤ 5	10.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methane;[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxan-3-yl)oxyethyl] 2,2-difluoropropanoate;tetrakis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate);[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-fluoro-2-methylpropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate?

The IUPAC name of methane;[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxan-3-yl)oxyethyl] 2,2-difluoropropanoate;tetrakis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate);[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-fluoro-2-methylpropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate (CID 161102715) is methane;[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxan-3-yl)oxyethyl] 2,2-difluoropropanoate;tetrakis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate);[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-fluoro-2-methylpropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate.

What is the SMILES notation for methane;[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxan-3-yl)oxyethyl] 2,2-difluoropropanoate;tetrakis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate);[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-fluoro-2-methylpropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate?

The canonical SMILES for methane;[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxan-3-yl)oxyethyl] 2,2-difluoropropanoate;tetrakis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate);[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-fluoro-2-methylpropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate is C.C.C.C.C.C.CC(C)(C(=O)OCC(=O)OC1C2CC3C(=O)OC1C3C2)C(F)(F)F.CC(C)(F)C(=O)OCC(=O)OC1C2CC3C(=O)OC1C3C2.CC(F)(F)C(=O)OCC(=O)OC1C2CC3C(=O)OC1C3C2.CC(F)(F)C(=O)OCC(=O)OC1C2CC3C(=O)OC1C3C2.CC(F)(F)C(=O)OCC(=O)OC1C2CC3C(=O)OC1C3C2.CC(F)(F)C(=O)OCC(=O)OC1C2CC3C(=O)OC1C3C2.CC(F)(F)C(=O)OCC(=O)OC1CCC2CC1OC2=O.CC(F)(F)C(=O)OCC(=O)OC1CCCOC1=O.

What is the InChIKey of methane;[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxan-3-yl)oxyethyl] 2,2-difluoropropanoate;tetrakis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate);[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-fluoro-2-methylpropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate?

The InChIKey is UIQJFRGPVSTJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3O6.C14H17FO6.4C13H14F2O6.C12H14F2O6.C10H12F2O6.6CH4/c1-14(2,15(16,17)18)13(21)22-5-9(19)23-10-6-3-7-8(4-6)12(20)24-11(7)10;1-14(2,15)13(18)19-5-9(16)20-10-6-3-7-8(4-6)12(17)21-11(7)10;4*1-13(14,15)12(18)19-4-8(16)20-9-5-2-6-7(3-5)11(17)21-10(6)9;1-12(13,14)11(17)18-5-9(15)19-7-3-2-6-4-8(7)20-10(6)16;1-10(11,12)9(15)17-5-7(13)18-6-3-2-4-16-8(6)14;;;;;;/h6-8,10-11H,3-5H2,1-2H3;6-8,10-11H,3-5H2,1-2H3;4*5-7,9-10H,2-4H2,1H3;6-8H,2-5H2,1H3;6H,2-5H2,1H3;6*1H4.

What are the key properties of methane;[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxan-3-yl)oxyethyl] 2,2-difluoropropanoate;tetrakis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate);[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-fluoro-2-methylpropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate?

methane;[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxan-3-yl)oxyethyl] 2,2-difluoropropanoate;tetrakis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate);[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-fluoro-2-methylpropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate has a molecular weight of 2522.24 g/mol, XLogP of 10.17, 32 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for methane;[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxan-3-yl)oxyethyl] 2,2-difluoropropanoate;tetrakis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate);[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2-fluoro-2-methylpropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 3,3,3-trifluoro-2,2-dimethylpropanoate is sourced from PubChem (CID 161102715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).