2-cyclododecyloxy-2,2-difluoroacetate;2-cyclohex-3-en-1-yloxy-2,2-difluoroacetate;2,2-difluoro-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-7-yl)oxy]acetate;2,2-difluoro-2-(2-oxooxolan-3-yl)oxyacetate;2,2-difluoro-2-(5-oxooxolan-3-yl)oxyacetate;2,2-difluoro-2-(2,3,4-trimethyl-5-oxooxolan-3-yl)oxyacetate;2-(4,4-dimethyl-2,5-dioxooxolan-3-yl)oxy-2,2-difluoroacetate;2-(2,2-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetate;2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetate

C79H91F18O42-9 — CID 165040524

About 2-cyclododecyloxy-2,2-difluoroacetate;2-cyclohex-3-en-1-yloxy-2,2-difluoroacetate;2,2-difluoro-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-7-yl)oxy]acetate;2,2-difluoro-2-(2-oxooxolan-3-yl)oxyacetate;2,2-difluoro-2-(5-oxooxolan-3-yl)oxyacetate;2,2-difluoro-2-(2,3,4-trimethyl-5-oxooxolan-3-yl)oxyacetate;2-(4,4-dimethyl-2,5-dioxooxolan-3-yl)oxy-2,2-difluoroacetate;2-(2,2-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetate;2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetate

2-cyclododecyloxy-2,2-difluoroacetate;2-cyclohex-3-en-1-yloxy-2,2-difluoroacetate;2,2-difluoro-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-7-yl)oxy]acetate;2,2-difluoro-2-(2-oxooxolan-3-yl)oxyacetate;2,2-difluoro-2-(5-oxooxolan-3-yl)oxyacetate;2,2-difluoro-2-(2,3,4-trimethyl-5-oxooxolan-3-yl)oxyacetate;2-(4,4-dimethyl-2,5-dioxooxolan-3-yl)oxy-2,2-difluoroacetate;2-(2,2-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetate;2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetate (PubChem CID 165040524) has the molecular formula C79H91F18O42-9 and a molecular weight of 2054.52 g/mol. Its IUPAC name is 2-cyclododecyloxy-2,2-difluoroacetate;2-cyclohex-3-en-1-yloxy-2,2-difluoroacetate;2,2-difluoro-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-7-yl)oxy]acetate;2,2-difluoro-2-(2-oxooxolan-3-yl)oxyacetate;2,2-difluoro-2-(5-oxooxolan-3-yl)oxyacetate;2,2-difluoro-2-(2,3,4-trimethyl-5-oxooxolan-3-yl)oxyacetate;2-(4,4-dimethyl-2,5-dioxooxolan-3-yl)oxy-2,2-difluoroacetate;2-(2,2-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetate;2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetate.

Molecular Properties

• Compound Name: 2-cyclododecyloxy-2,2-difluoroacetate;2-cyclohex-3-en-1-yloxy-2,2-difluoroacetate;2,2-difluoro-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-7-yl)oxy]acetate;2,2-difluoro-2-(2-oxooxolan-3-yl)oxyacetate;2,2-difluoro-2-(5-oxooxolan-3-yl)oxyacetate;2,2-difluoro-2-(2,3,4-trimethyl-5-oxooxolan-3-yl)oxyacetate;2-(4,4-dimethyl-2,5-dioxooxolan-3-yl)oxy-2,2-difluoroacetate;2-(2,2-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetate;2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetate
• PubChem CID: 165040524
• Molecular Formula: C79H91F18O42-9
• Molecular Weight: 2054.52 g/mol
• Exact Mass: 2053.47
• IUPAC Name: 2-cyclododecyloxy-2,2-difluoroacetate;2-cyclohex-3-en-1-yloxy-2,2-difluoroacetate;2,2-difluoro-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-7-yl)oxy]acetate;2,2-difluoro-2-(2-oxooxolan-3-yl)oxyacetate;2,2-difluoro-2-(5-oxooxolan-3-yl)oxyacetate;2,2-difluoro-2-(2,3,4-trimethyl-5-oxooxolan-3-yl)oxyacetate;2-(4,4-dimethyl-2,5-dioxooxolan-3-yl)oxy-2,2-difluoroacetate;2-(2,2-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetate;2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetate
• SMILES: CC1(C)C(=O)OC(=O)C1OC(F)(F)C(=O)[O-].CC1(C)OC(=O)CC1OC(F)(F)C(=O)[O-].CC1OC(=O)C(C)C1(C)OC(F)(F)C(=O)[O-].CC1OC(=O)CC1(C)OC(F)(F)C(=O)[O-].O=C([O-])C(F)(F)OC1CC=CCC1.O=C([O-])C(F)(F)OC1CCCCCCCCCCC1.O=C1CC(OC(F)(F)C(=O)[O-])CO1.O=C1OC2CC3CC(C2)C(OC(F)(F)C(=O)[O-])C1C3.O=C1OCCC1OC(F)(F)C(=O)[O-]
• InChI: InChI=1S/C14H24F2O3.C12H14F2O5.C9H12F2O5.C8H8F2O6.2C8H10F2O5.C8H10F2O3.2C6H6F2O5/c15-14(16,13(17)18)19-12-10-8-6-4-2-1-3-5-7-9-11-12;13-12(14,11(16)17)19-9-6-1-5-2-7(4-6)18-10(15)8(9)3-5;1-4-6(12)15-5(2)8(4,3)16-9(10,11)7(13)14;1-7(2)3(4(11)15-6(7)14)16-8(9,10)5(12)13;1-7(2)4(3-5(11)15-7)14-8(9,10)6(12)13;1-4-7(2,3-5(11)14-4)15-8(9,10)6(12)13;9-8(10,7(11)12)13-6-4-2-1-3-5-6;7-6(8,5(10)11)13-3-1-4(9)12-2-3;7-6(8,5(10)11)13-3-1-2-12-4(3)9/h12H,1-11H2,(H,17,18);5-9H,1-4H2,(H,16,17);4-5H,1-3H3,(H,13,14);3H,1-2H3,(H,12,13);2*4H,3H2,1-2H3,(H,12,13);1-2,6H,3-5H2,(H,11,12);2*3H,1-2H2,(H,10,11)/p-9
• InChIKey: OBAKTACIPKKDGC-UHFFFAOYSA-E
• XLogP: -1.74
• TPSA: 645.41 Ų
• H-Bond Acceptors: 42
• Rotatable Bonds: 27
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2054.52
LogP ≤ 5	-1.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-cyclododecyloxy-2,2-difluoroacetate;2-cyclohex-3-en-1-yloxy-2,2-difluoroacetate;2,2-difluoro-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-7-yl)oxy]acetate;2,2-difluoro-2-(2-oxooxolan-3-yl)oxyacetate;2,2-difluoro-2-(5-oxooxolan-3-yl)oxyacetate;2,2-difluoro-2-(2,3,4-trimethyl-5-oxooxolan-3-yl)oxyacetate;2-(4,4-dimethyl-2,5-dioxooxolan-3-yl)oxy-2,2-difluoroacetate;2-(2,2-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetate;2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetate?

The IUPAC name of 2-cyclododecyloxy-2,2-difluoroacetate;2-cyclohex-3-en-1-yloxy-2,2-difluoroacetate;2,2-difluoro-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-7-yl)oxy]acetate;2,2-difluoro-2-(2-oxooxolan-3-yl)oxyacetate;2,2-difluoro-2-(5-oxooxolan-3-yl)oxyacetate;2,2-difluoro-2-(2,3,4-trimethyl-5-oxooxolan-3-yl)oxyacetate;2-(4,4-dimethyl-2,5-dioxooxolan-3-yl)oxy-2,2-difluoroacetate;2-(2,2-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetate;2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetate (CID 165040524) is 2-cyclododecyloxy-2,2-difluoroacetate;2-cyclohex-3-en-1-yloxy-2,2-difluoroacetate;2,2-difluoro-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-7-yl)oxy]acetate;2,2-difluoro-2-(2-oxooxolan-3-yl)oxyacetate;2,2-difluoro-2-(5-oxooxolan-3-yl)oxyacetate;2,2-difluoro-2-(2,3,4-trimethyl-5-oxooxolan-3-yl)oxyacetate;2-(4,4-dimethyl-2,5-dioxooxolan-3-yl)oxy-2,2-difluoroacetate;2-(2,2-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetate;2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetate.

What is the SMILES notation for 2-cyclododecyloxy-2,2-difluoroacetate;2-cyclohex-3-en-1-yloxy-2,2-difluoroacetate;2,2-difluoro-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-7-yl)oxy]acetate;2,2-difluoro-2-(2-oxooxolan-3-yl)oxyacetate;2,2-difluoro-2-(5-oxooxolan-3-yl)oxyacetate;2,2-difluoro-2-(2,3,4-trimethyl-5-oxooxolan-3-yl)oxyacetate;2-(4,4-dimethyl-2,5-dioxooxolan-3-yl)oxy-2,2-difluoroacetate;2-(2,2-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetate;2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetate?

The canonical SMILES for 2-cyclododecyloxy-2,2-difluoroacetate;2-cyclohex-3-en-1-yloxy-2,2-difluoroacetate;2,2-difluoro-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-7-yl)oxy]acetate;2,2-difluoro-2-(2-oxooxolan-3-yl)oxyacetate;2,2-difluoro-2-(5-oxooxolan-3-yl)oxyacetate;2,2-difluoro-2-(2,3,4-trimethyl-5-oxooxolan-3-yl)oxyacetate;2-(4,4-dimethyl-2,5-dioxooxolan-3-yl)oxy-2,2-difluoroacetate;2-(2,2-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetate;2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetate is CC1(C)C(=O)OC(=O)C1OC(F)(F)C(=O)[O-].CC1(C)OC(=O)CC1OC(F)(F)C(=O)[O-].CC1OC(=O)C(C)C1(C)OC(F)(F)C(=O)[O-].CC1OC(=O)CC1(C)OC(F)(F)C(=O)[O-].O=C([O-])C(F)(F)OC1CC=CCC1.O=C([O-])C(F)(F)OC1CCCCCCCCCCC1.O=C1CC(OC(F)(F)C(=O)[O-])CO1.O=C1OC2CC3CC(C2)C(OC(F)(F)C(=O)[O-])C1C3.O=C1OCCC1OC(F)(F)C(=O)[O-].

What is the InChIKey of 2-cyclododecyloxy-2,2-difluoroacetate;2-cyclohex-3-en-1-yloxy-2,2-difluoroacetate;2,2-difluoro-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-7-yl)oxy]acetate;2,2-difluoro-2-(2-oxooxolan-3-yl)oxyacetate;2,2-difluoro-2-(5-oxooxolan-3-yl)oxyacetate;2,2-difluoro-2-(2,3,4-trimethyl-5-oxooxolan-3-yl)oxyacetate;2-(4,4-dimethyl-2,5-dioxooxolan-3-yl)oxy-2,2-difluoroacetate;2-(2,2-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetate;2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetate?

The InChIKey is OBAKTACIPKKDGC-UHFFFAOYSA-E. The full InChI is InChI=1S/C14H24F2O3.C12H14F2O5.C9H12F2O5.C8H8F2O6.2C8H10F2O5.C8H10F2O3.2C6H6F2O5/c15-14(16,13(17)18)19-12-10-8-6-4-2-1-3-5-7-9-11-12;13-12(14,11(16)17)19-9-6-1-5-2-7(4-6)18-10(15)8(9)3-5;1-4-6(12)15-5(2)8(4,3)16-9(10,11)7(13)14;1-7(2)3(4(11)15-6(7)14)16-8(9,10)5(12)13;1-7(2)4(3-5(11)15-7)14-8(9,10)6(12)13;1-4-7(2,3-5(11)14-4)15-8(9,10)6(12)13;9-8(10,7(11)12)13-6-4-2-1-3-5-6;7-6(8,5(10)11)13-3-1-4(9)12-2-3;7-6(8,5(10)11)13-3-1-2-12-4(3)9/h12H,1-11H2,(H,17,18);5-9H,1-4H2,(H,16,17);4-5H,1-3H3,(H,13,14);3H,1-2H3,(H,12,13);2*4H,3H2,1-2H3,(H,12,13);1-2,6H,3-5H2,(H,11,12);2*3H,1-2H2,(H,10,11)/p-9.

What are the key properties of 2-cyclododecyloxy-2,2-difluoroacetate;2-cyclohex-3-en-1-yloxy-2,2-difluoroacetate;2,2-difluoro-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-7-yl)oxy]acetate;2,2-difluoro-2-(2-oxooxolan-3-yl)oxyacetate;2,2-difluoro-2-(5-oxooxolan-3-yl)oxyacetate;2,2-difluoro-2-(2,3,4-trimethyl-5-oxooxolan-3-yl)oxyacetate;2-(4,4-dimethyl-2,5-dioxooxolan-3-yl)oxy-2,2-difluoroacetate;2-(2,2-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetate;2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetate?

2-cyclododecyloxy-2,2-difluoroacetate;2-cyclohex-3-en-1-yloxy-2,2-difluoroacetate;2,2-difluoro-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-7-yl)oxy]acetate;2,2-difluoro-2-(2-oxooxolan-3-yl)oxyacetate;2,2-difluoro-2-(5-oxooxolan-3-yl)oxyacetate;2,2-difluoro-2-(2,3,4-trimethyl-5-oxooxolan-3-yl)oxyacetate;2-(4,4-dimethyl-2,5-dioxooxolan-3-yl)oxy-2,2-difluoroacetate;2-(2,2-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetate;2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetate has a molecular weight of 2054.52 g/mol, XLogP of -1.74, 27 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclododecyloxy-2,2-difluoroacetate;2-cyclohex-3-en-1-yloxy-2,2-difluoroacetate;2,2-difluoro-2-[(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-7-yl)oxy]acetate;2,2-difluoro-2-(2-oxooxolan-3-yl)oxyacetate;2,2-difluoro-2-(5-oxooxolan-3-yl)oxyacetate;2,2-difluoro-2-(2,3,4-trimethyl-5-oxooxolan-3-yl)oxyacetate;2-(4,4-dimethyl-2,5-dioxooxolan-3-yl)oxy-2,2-difluoroacetate;2-(2,2-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetate;2-(2,3-dimethyl-5-oxooxolan-3-yl)oxy-2,2-difluoroacetate is sourced from PubChem (CID 165040524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).