[2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(2-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(cyclohexylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoropropanoate;(2-cyclopentyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(oxan-2-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoropropanoate

C114H156F20O45 — CID 159527310

About [2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(2-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(cyclohexylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoropropanoate;(2-cyclopentyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(oxan-2-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoropropanoate

[2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(2-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(cyclohexylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoropropanoate;(2-cyclopentyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(oxan-2-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoropropanoate (PubChem CID 159527310) has the molecular formula C114H156F20O45 and a molecular weight of 2626.42 g/mol. Its IUPAC name is [2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(2-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(cyclohexylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoropropanoate;(2-cyclopentyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(oxan-2-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoropropanoate.

Molecular Properties

• Compound Name: [2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(2-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(cyclohexylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoropropanoate;(2-cyclopentyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(oxan-2-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoropropanoate
• PubChem CID: 159527310
• Molecular Formula: C114H156F20O45
• Molecular Weight: 2626.42 g/mol
• Exact Mass: 2624.96
• IUPAC Name: [2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(2-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(cyclohexylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoropropanoate;(2-cyclopentyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(oxan-2-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoropropanoate
• SMILES: CC(F)(F)C(=O)OCC(=O)OC1C2CC3C(=O)OC1C3C2.CC(F)(F)C(=O)OCC(=O)OC1CC2CCC1C2.CC(F)(F)C(=O)OCC(=O)OC1CCCC1.CC(F)(F)C(=O)OCC(=O)OC1CCCCC1.CC(F)(F)C(=O)OCC(=O)OC1CCOC1=O.CC(F)(F)C(=O)OCC(=O)OCC1CC2CCC1C2.CC(F)(F)C(=O)OCC(=O)OCC1CCCCC1.CC(F)(F)C(=O)OCC(=O)OCC1CCCCO1.CC1(OC(=O)COC(=O)C(C)(F)F)CCCC1.CCC1(OC(=O)COC(=O)C(C)(F)F)CCCC1
• InChI: InChI=1S/C13H14F2O6.C13H18F2O4.C12H16F2O4.2C12H18F2O4.C11H16F2O5.2C11H16F2O4.C10H14F2O4.C9H10F2O6/c1-13(14,15)12(18)19-4-8(16)20-9-5-2-6-7(3-5)11(17)21-10(6)9;1-13(14,15)12(17)19-7-11(16)18-6-10-5-8-2-3-9(10)4-8;1-12(13,14)11(16)17-6-10(15)18-9-5-7-2-3-8(9)4-7;1-12(13,14)11(16)18-8-10(15)17-7-9-5-3-2-4-6-9;1-3-12(6-4-5-7-12)18-9(15)8-17-10(16)11(2,13)14;1-11(12,13)10(15)18-7-9(14)17-6-8-4-2-3-5-16-8;1-10(5-3-4-6-10)17-8(14)7-16-9(15)11(2,12)13;1-11(12,13)10(15)16-7-9(14)17-8-5-3-2-4-6-8;1-10(11,12)9(14)15-6-8(13)16-7-4-2-3-5-7;1-9(10,11)8(14)16-4-6(12)17-5-2-3-15-7(5)13/h5-7,9-10H,2-4H2,1H3;8-10H,2-7H2,1H3;7-9H,2-6H2,1H3;9H,2-8H2,1H3;3-8H2,1-2H3;8H,2-7H2,1H3;3-7H2,1-2H3;8H,2-7H2,1H3;7H,2-6H2,1H3;5H,2-4H2,1H3
• InChIKey: MCNWMGFUGGUZQI-UHFFFAOYSA-N
• XLogP: 16.65
• TPSA: 587.83 Ų
• H-Bond Acceptors: 45
• Rotatable Bonds: 44
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2626.42
LogP ≤ 5	16.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(2-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(cyclohexylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoropropanoate;(2-cyclopentyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(oxan-2-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoropropanoate?

The IUPAC name of [2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(2-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(cyclohexylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoropropanoate;(2-cyclopentyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(oxan-2-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoropropanoate (CID 159527310) is [2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(2-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(cyclohexylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoropropanoate;(2-cyclopentyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(oxan-2-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoropropanoate.

What is the SMILES notation for [2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(2-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(cyclohexylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoropropanoate;(2-cyclopentyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(oxan-2-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoropropanoate?

The canonical SMILES for [2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(2-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(cyclohexylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoropropanoate;(2-cyclopentyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(oxan-2-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoropropanoate is CC(F)(F)C(=O)OCC(=O)OC1C2CC3C(=O)OC1C3C2.CC(F)(F)C(=O)OCC(=O)OC1CC2CCC1C2.CC(F)(F)C(=O)OCC(=O)OC1CCCC1.CC(F)(F)C(=O)OCC(=O)OC1CCCCC1.CC(F)(F)C(=O)OCC(=O)OC1CCOC1=O.CC(F)(F)C(=O)OCC(=O)OCC1CC2CCC1C2.CC(F)(F)C(=O)OCC(=O)OCC1CCCCC1.CC(F)(F)C(=O)OCC(=O)OCC1CCCCO1.CC1(OC(=O)COC(=O)C(C)(F)F)CCCC1.CCC1(OC(=O)COC(=O)C(C)(F)F)CCCC1.

What is the InChIKey of [2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(2-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(cyclohexylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoropropanoate;(2-cyclopentyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(oxan-2-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoropropanoate?

The InChIKey is MCNWMGFUGGUZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2O6.C13H18F2O4.C12H16F2O4.2C12H18F2O4.C11H16F2O5.2C11H16F2O4.C10H14F2O4.C9H10F2O6/c1-13(14,15)12(18)19-4-8(16)20-9-5-2-6-7(3-5)11(17)21-10(6)9;1-13(14,15)12(17)19-7-11(16)18-6-10-5-8-2-3-9(10)4-8;1-12(13,14)11(16)17-6-10(15)18-9-5-7-2-3-8(9)4-7;1-12(13,14)11(16)18-8-10(15)17-7-9-5-3-2-4-6-9;1-3-12(6-4-5-7-12)18-9(15)8-17-10(16)11(2,13)14;1-11(12,13)10(15)18-7-9(14)17-6-8-4-2-3-5-16-8;1-10(5-3-4-6-10)17-8(14)7-16-9(15)11(2,12)13;1-11(12,13)10(15)16-7-9(14)17-8-5-3-2-4-6-8;1-10(11,12)9(14)15-6-8(13)16-7-4-2-3-5-7;1-9(10,11)8(14)16-4-6(12)17-5-2-3-15-7(5)13/h5-7,9-10H,2-4H2,1H3;8-10H,2-7H2,1H3;7-9H,2-6H2,1H3;9H,2-8H2,1H3;3-8H2,1-2H3;8H,2-7H2,1H3;3-7H2,1-2H3;8H,2-7H2,1H3;7H,2-6H2,1H3;5H,2-4H2,1H3.

What are the key properties of [2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(2-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(cyclohexylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoropropanoate;(2-cyclopentyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(oxan-2-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoropropanoate?

[2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(2-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(cyclohexylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoropropanoate;(2-cyclopentyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(oxan-2-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoropropanoate has a molecular weight of 2626.42 g/mol, XLogP of 16.65, 44 rotatable bonds, 0 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2-bicyclo[2.2.1]heptanylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(2-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-(cyclohexylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoropropanoate;(2-cyclopentyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(oxan-2-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 2,2-difluoropropanoate is sourced from PubChem (CID 159527310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).