[6-[2-(2,2-difluoropropoxy)-2-oxoethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate;2,2-difluoropropyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate;[6-[2-oxo-2-(2,2,2-trifluoroethoxy)ethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate;2,2,2-trifluoroethyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate

C86H100F10N2O18 — CID 158722221

About [6-[2-(2,2-difluoropropoxy)-2-oxoethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate;2,2-difluoropropyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate;[6-[2-oxo-2-(2,2,2-trifluoroethoxy)ethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate;2,2,2-trifluoroethyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate

[6-[2-(2,2-difluoropropoxy)-2-oxoethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate;2,2-difluoropropyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate;[6-[2-oxo-2-(2,2,2-trifluoroethoxy)ethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate;2,2,2-trifluoroethyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate (PubChem CID 158722221) has the molecular formula C86H100F10N2O18 and a molecular weight of 1639.72 g/mol. Its IUPAC name is [6-[2-(2,2-difluoropropoxy)-2-oxoethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate;2,2-difluoropropyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate;[6-[2-oxo-2-(2,2,2-trifluoroethoxy)ethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate;2,2,2-trifluoroethyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate.

Molecular Properties

• Compound Name: [6-[2-(2,2-difluoropropoxy)-2-oxoethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate;2,2-difluoropropyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate;[6-[2-oxo-2-(2,2,2-trifluoroethoxy)ethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate;2,2,2-trifluoroethyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate
• PubChem CID: 158722221
• Molecular Formula: C86H100F10N2O18
• Molecular Weight: 1639.72 g/mol
• Exact Mass: 1638.68
• IUPAC Name: [6-[2-(2,2-difluoropropoxy)-2-oxoethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate;2,2-difluoropropyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate;[6-[2-oxo-2-(2,2,2-trifluoroethoxy)ethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate;2,2,2-trifluoroethyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate
• SMILES: CCC(C)(C)C(=O)NCc1ccc2cc(OCC(=O)OCC(C)(F)F)ccc2c1.CCC(C)(C)C(=O)NCc1ccc2cc(OCC(=O)OCC(F)(F)F)ccc2c1.CCC(C)(C)C(=O)OCc1ccc2cc(OCC(=O)OCC(C)(F)F)ccc2c1.CCC(C)(C)C(=O)OCc1ccc2cc(OCC(=O)OCC(F)(F)F)ccc2c1
• InChI: InChI=1S/C22H27F2NO4.C22H26F2O5.C21H24F3NO4.C21H23F3O5/c1-5-21(2,3)20(27)25-12-15-6-7-17-11-18(9-8-16(17)10-15)28-13-19(26)29-14-22(4,23)24;1-5-21(2,3)20(26)28-12-15-6-7-17-11-18(9-8-16(17)10-15)27-13-19(25)29-14-22(4,23)24;1-4-20(2,3)19(27)25-11-14-5-6-16-10-17(8-7-15(16)9-14)28-12-18(26)29-13-21(22,23)24;1-4-20(2,3)19(26)28-11-14-5-6-16-10-17(8-7-15(16)9-14)27-12-18(25)29-13-21(22,23)24/h6-11H,5,12-14H2,1-4H3,(H,25,27);6-11H,5,12-14H2,1-4H3;5-10H,4,11-13H2,1-3H3,(H,25,27);5-10H,4,11-13H2,1-3H3
• InChIKey: IKBDFDHEKXQJGZ-UHFFFAOYSA-N
• XLogP: 18.55
• TPSA: 252.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 34
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1639.72
LogP ≤ 5	18.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-[2-(2,2-difluoropropoxy)-2-oxoethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate;2,2-difluoropropyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate;[6-[2-oxo-2-(2,2,2-trifluoroethoxy)ethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate;2,2,2-trifluoroethyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate?

The IUPAC name of [6-[2-(2,2-difluoropropoxy)-2-oxoethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate;2,2-difluoropropyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate;[6-[2-oxo-2-(2,2,2-trifluoroethoxy)ethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate;2,2,2-trifluoroethyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate (CID 158722221) is [6-[2-(2,2-difluoropropoxy)-2-oxoethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate;2,2-difluoropropyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate;[6-[2-oxo-2-(2,2,2-trifluoroethoxy)ethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate;2,2,2-trifluoroethyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate.

What is the SMILES notation for [6-[2-(2,2-difluoropropoxy)-2-oxoethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate;2,2-difluoropropyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate;[6-[2-oxo-2-(2,2,2-trifluoroethoxy)ethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate;2,2,2-trifluoroethyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate?

The canonical SMILES for [6-[2-(2,2-difluoropropoxy)-2-oxoethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate;2,2-difluoropropyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate;[6-[2-oxo-2-(2,2,2-trifluoroethoxy)ethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate;2,2,2-trifluoroethyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate is CCC(C)(C)C(=O)NCc1ccc2cc(OCC(=O)OCC(C)(F)F)ccc2c1.CCC(C)(C)C(=O)NCc1ccc2cc(OCC(=O)OCC(F)(F)F)ccc2c1.CCC(C)(C)C(=O)OCc1ccc2cc(OCC(=O)OCC(C)(F)F)ccc2c1.CCC(C)(C)C(=O)OCc1ccc2cc(OCC(=O)OCC(F)(F)F)ccc2c1.

What is the InChIKey of [6-[2-(2,2-difluoropropoxy)-2-oxoethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate;2,2-difluoropropyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate;[6-[2-oxo-2-(2,2,2-trifluoroethoxy)ethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate;2,2,2-trifluoroethyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate?

The InChIKey is IKBDFDHEKXQJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2NO4.C22H26F2O5.C21H24F3NO4.C21H23F3O5/c1-5-21(2,3)20(27)25-12-15-6-7-17-11-18(9-8-16(17)10-15)28-13-19(26)29-14-22(4,23)24;1-5-21(2,3)20(26)28-12-15-6-7-17-11-18(9-8-16(17)10-15)27-13-19(25)29-14-22(4,23)24;1-4-20(2,3)19(27)25-11-14-5-6-16-10-17(8-7-15(16)9-14)28-12-18(26)29-13-21(22,23)24;1-4-20(2,3)19(26)28-11-14-5-6-16-10-17(8-7-15(16)9-14)27-12-18(25)29-13-21(22,23)24/h6-11H,5,12-14H2,1-4H3,(H,25,27);6-11H,5,12-14H2,1-4H3;5-10H,4,11-13H2,1-3H3,(H,25,27);5-10H,4,11-13H2,1-3H3.

What are the key properties of [6-[2-(2,2-difluoropropoxy)-2-oxoethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate;2,2-difluoropropyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate;[6-[2-oxo-2-(2,2,2-trifluoroethoxy)ethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate;2,2,2-trifluoroethyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate?

[6-[2-(2,2-difluoropropoxy)-2-oxoethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate;2,2-difluoropropyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate;[6-[2-oxo-2-(2,2,2-trifluoroethoxy)ethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate;2,2,2-trifluoroethyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate has a molecular weight of 1639.72 g/mol, XLogP of 18.55, 34 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[2-(2,2-difluoropropoxy)-2-oxoethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate;2,2-difluoropropyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate;[6-[2-oxo-2-(2,2,2-trifluoroethoxy)ethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate;2,2,2-trifluoroethyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate is sourced from PubChem (CID 158722221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).