[4-[2-(2,2-difluoroethoxy)-2-oxoethoxy]-3,5-dimethylphenyl] 2,2-dimethylbutanoate;[6-[2-(2,2-difluoroethoxy)-2-oxoethoxy]naphthalen-2-yl] 2,2-dimethylbutanoate;bis([6-[2-(2,2-difluoroethoxy)-2-oxoethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate);[4-[2-(2,2-difluoroethoxy)-2-oxoethoxy]-2,3,5,6-tetrafluorophenyl] 2,2-dimethylbutanoate;2,2-difluoroethyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate;2,2-difluoroethyl 2-[5-(2,2-dimethylbutanoylamino)naphthalen-1-yl]oxyacetate;2,2-difluoroethyl 2-[6-(2,2-dimethylbutanoylamino)naphthalen-2-yl]oxyacetate;[4-[2-(2,2-difluoropropoxy)-2-oxoethoxy]-3-methoxyphenyl] 2,2-dimethylbutanoate;methane

C185H245F22N3O43 — CID 160902847

About [4-[2-(2,2-difluoroethoxy)-2-oxoethoxy]-3,5-dimethylphenyl] 2,2-dimethylbutanoate;[6-[2-(2,2-difluoroethoxy)-2-oxoethoxy]naphthalen-2-yl] 2,2-dimethylbutanoate;bis([6-[2-(2,2-difluoroethoxy)-2-oxoethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate);[4-[2-(2,2-difluoroethoxy)-2-oxoethoxy]-2,3,5,6-tetrafluorophenyl] 2,2-dimethylbutanoate;2,2-difluoroethyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate;2,2-difluoroethyl 2-[5-(2,2-dimethylbutanoylamino)naphthalen-1-yl]oxyacetate;2,2-difluoroethyl 2-[6-(2,2-dimethylbutanoylamino)naphthalen-2-yl]oxyacetate;[4-[2-(2,2-difluoropropoxy)-2-oxoethoxy]-3-methoxyphenyl] 2,2-dimethylbutanoate;methane

[4-[2-(2,2-difluoroethoxy)-2-oxoethoxy]-3,5-dimethylphenyl] 2,2-dimethylbutanoate;[6-[2-(2,2-difluoroethoxy)-2-oxoethoxy]naphthalen-2-yl] 2,2-dimethylbutanoate;bis([6-[2-(2,2-difluoroethoxy)-2-oxoethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate);[4-[2-(2,2-difluoroethoxy)-2-oxoethoxy]-2,3,5,6-tetrafluorophenyl] 2,2-dimethylbutanoate;2,2-difluoroethyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate;2,2-difluoroethyl 2-[5-(2,2-dimethylbutanoylamino)naphthalen-1-yl]oxyacetate;2,2-difluoroethyl 2-[6-(2,2-dimethylbutanoylamino)naphthalen-2-yl]oxyacetate;[4-[2-(2,2-difluoropropoxy)-2-oxoethoxy]-3-methoxyphenyl] 2,2-dimethylbutanoate;methane (PubChem CID 160902847) has the molecular formula C185H245F22N3O43 and a molecular weight of 3616.93 g/mol. Its IUPAC name is [4-[2-(2,2-difluoroethoxy)-2-oxoethoxy]-3,5-dimethylphenyl] 2,2-dimethylbutanoate;[6-[2-(2,2-difluoroethoxy)-2-oxoethoxy]naphthalen-2-yl] 2,2-dimethylbutanoate;bis([6-[2-(2,2-difluoroethoxy)-2-oxoethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate);[4-[2-(2,2-difluoroethoxy)-2-oxoethoxy]-2,3,5,6-tetrafluorophenyl] 2,2-dimethylbutanoate;2,2-difluoroethyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate;2,2-difluoroethyl 2-[5-(2,2-dimethylbutanoylamino)naphthalen-1-yl]oxyacetate;2,2-difluoroethyl 2-[6-(2,2-dimethylbutanoylamino)naphthalen-2-yl]oxyacetate;[4-[2-(2,2-difluoropropoxy)-2-oxoethoxy]-3-methoxyphenyl] 2,2-dimethylbutanoate;methane.

Molecular Properties

• Compound Name: [4-[2-(2,2-difluoroethoxy)-2-oxoethoxy]-3,5-dimethylphenyl] 2,2-dimethylbutanoate;[6-[2-(2,2-difluoroethoxy)-2-oxoethoxy]naphthalen-2-yl] 2,2-dimethylbutanoate;bis([6-[2-(2,2-difluoroethoxy)-2-oxoethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate);[4-[2-(2,2-difluoroethoxy)-2-oxoethoxy]-2,3,5,6-tetrafluorophenyl] 2,2-dimethylbutanoate;2,2-difluoroethyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate;2,2-difluoroethyl 2-[5-(2,2-dimethylbutanoylamino)naphthalen-1-yl]oxyacetate;2,2-difluoroethyl 2-[6-(2,2-dimethylbutanoylamino)naphthalen-2-yl]oxyacetate;[4-[2-(2,2-difluoropropoxy)-2-oxoethoxy]-3-methoxyphenyl] 2,2-dimethylbutanoate;methane
• PubChem CID: 160902847
• Molecular Formula: C185H245F22N3O43
• Molecular Weight: 3616.93 g/mol
• Exact Mass: 3614.67
• IUPAC Name: [4-[2-(2,2-difluoroethoxy)-2-oxoethoxy]-3,5-dimethylphenyl] 2,2-dimethylbutanoate;[6-[2-(2,2-difluoroethoxy)-2-oxoethoxy]naphthalen-2-yl] 2,2-dimethylbutanoate;bis([6-[2-(2,2-difluoroethoxy)-2-oxoethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate);[4-[2-(2,2-difluoroethoxy)-2-oxoethoxy]-2,3,5,6-tetrafluorophenyl] 2,2-dimethylbutanoate;2,2-difluoroethyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate;2,2-difluoroethyl 2-[5-(2,2-dimethylbutanoylamino)naphthalen-1-yl]oxyacetate;2,2-difluoroethyl 2-[6-(2,2-dimethylbutanoylamino)naphthalen-2-yl]oxyacetate;[4-[2-(2,2-difluoropropoxy)-2-oxoethoxy]-3-methoxyphenyl] 2,2-dimethylbutanoate;methane
• SMILES: C.C.C.C.C.C.C.C.C.C.CCC(C)(C)C(=O)NCc1ccc2cc(OCC(=O)OCC(F)F)ccc2c1.CCC(C)(C)C(=O)Nc1ccc2cc(OCC(=O)OCC(F)F)ccc2c1.CCC(C)(C)C(=O)Nc1cccc2c(OCC(=O)OCC(F)F)cccc12.CCC(C)(C)C(=O)OCc1ccc2cc(OCC(=O)OCC(F)F)ccc2c1.CCC(C)(C)C(=O)OCc1ccc2cc(OCC(=O)OCC(F)F)ccc2c1.CCC(C)(C)C(=O)Oc1c(F)c(F)c(OCC(=O)OCC(F)F)c(F)c1F.CCC(C)(C)C(=O)Oc1cc(C)c(OCC(=O)OCC(F)F)c(C)c1.CCC(C)(C)C(=O)Oc1ccc(OCC(=O)OCC(C)(F)F)c(OC)c1.CCC(C)(C)C(=O)Oc1ccc2cc(OCC(=O)OCC(F)F)ccc2c1
• InChI: InChI=1S/C21H25F2NO4.2C21H24F2O5.2C20H23F2NO4.C20H22F2O5.C18H24F2O6.C18H24F2O5.C16H16F6O5.10CH4/c1-4-21(2,3)20(26)24-11-14-5-6-16-10-17(8-7-15(16)9-14)27-13-19(25)28-12-18(22)23;2*1-4-21(2,3)20(25)28-11-14-5-6-16-10-17(8-7-15(16)9-14)26-13-19(24)27-12-18(22)23;1-4-20(2,3)19(25)23-15-9-5-8-14-13(15)7-6-10-16(14)26-12-18(24)27-11-17(21)22;1-4-20(2,3)19(25)23-15-7-5-14-10-16(8-6-13(14)9-15)26-12-18(24)27-11-17(21)22;1-4-20(2,3)19(24)27-16-8-6-13-9-15(7-5-14(13)10-16)25-12-18(23)26-11-17(21)22;1-6-17(2,3)16(22)26-12-7-8-13(14(9-12)23-5)24-10-15(21)25-11-18(4,19)20;1-6-18(4,5)17(22)25-13-7-11(2)16(12(3)8-13)24-10-15(21)23-9-14(19)20;1-4-16(2,3)15(24)27-14-11(21)9(19)13(10(20)12(14)22)26-6-8(23)25-5-7(17)18;;;;;;;;;;/h5-10,18H,4,11-13H2,1-3H3,(H,24,26);2*5-10,18H,4,11-13H2,1-3H3;2*5-10,17H,4,11-12H2,1-3H3,(H,23,25);5-10,17H,4,11-12H2,1-3H3;7-9H,6,10-11H2,1-5H3;7-8,14H,6,9-10H2,1-5H3;7H,4-6H2,1-3H3;10*1H4
• InChIKey: SPSXLORKQJTJBU-UHFFFAOYSA-N
• XLogP: 43.84
• TPSA: 574.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 43
• Rotatable Bonds: 76
• Heavy Atoms: 253
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3616.93
LogP ≤ 5	43.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2,2-difluoroethoxy)-2-oxoethoxy]-3,5-dimethylphenyl] 2,2-dimethylbutanoate;[6-[2-(2,2-difluoroethoxy)-2-oxoethoxy]naphthalen-2-yl] 2,2-dimethylbutanoate;bis([6-[2-(2,2-difluoroethoxy)-2-oxoethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate);[4-[2-(2,2-difluoroethoxy)-2-oxoethoxy]-2,3,5,6-tetrafluorophenyl] 2,2-dimethylbutanoate;2,2-difluoroethyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate;2,2-difluoroethyl 2-[5-(2,2-dimethylbutanoylamino)naphthalen-1-yl]oxyacetate;2,2-difluoroethyl 2-[6-(2,2-dimethylbutanoylamino)naphthalen-2-yl]oxyacetate;[4-[2-(2,2-difluoropropoxy)-2-oxoethoxy]-3-methoxyphenyl] 2,2-dimethylbutanoate;methane?

The IUPAC name of [4-[2-(2,2-difluoroethoxy)-2-oxoethoxy]-3,5-dimethylphenyl] 2,2-dimethylbutanoate;[6-[2-(2,2-difluoroethoxy)-2-oxoethoxy]naphthalen-2-yl] 2,2-dimethylbutanoate;bis([6-[2-(2,2-difluoroethoxy)-2-oxoethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate);[4-[2-(2,2-difluoroethoxy)-2-oxoethoxy]-2,3,5,6-tetrafluorophenyl] 2,2-dimethylbutanoate;2,2-difluoroethyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate;2,2-difluoroethyl 2-[5-(2,2-dimethylbutanoylamino)naphthalen-1-yl]oxyacetate;2,2-difluoroethyl 2-[6-(2,2-dimethylbutanoylamino)naphthalen-2-yl]oxyacetate;[4-[2-(2,2-difluoropropoxy)-2-oxoethoxy]-3-methoxyphenyl] 2,2-dimethylbutanoate;methane (CID 160902847) is [4-[2-(2,2-difluoroethoxy)-2-oxoethoxy]-3,5-dimethylphenyl] 2,2-dimethylbutanoate;[6-[2-(2,2-difluoroethoxy)-2-oxoethoxy]naphthalen-2-yl] 2,2-dimethylbutanoate;bis([6-[2-(2,2-difluoroethoxy)-2-oxoethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate);[4-[2-(2,2-difluoroethoxy)-2-oxoethoxy]-2,3,5,6-tetrafluorophenyl] 2,2-dimethylbutanoate;2,2-difluoroethyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate;2,2-difluoroethyl 2-[5-(2,2-dimethylbutanoylamino)naphthalen-1-yl]oxyacetate;2,2-difluoroethyl 2-[6-(2,2-dimethylbutanoylamino)naphthalen-2-yl]oxyacetate;[4-[2-(2,2-difluoropropoxy)-2-oxoethoxy]-3-methoxyphenyl] 2,2-dimethylbutanoate;methane.

What is the SMILES notation for [4-[2-(2,2-difluoroethoxy)-2-oxoethoxy]-3,5-dimethylphenyl] 2,2-dimethylbutanoate;[6-[2-(2,2-difluoroethoxy)-2-oxoethoxy]naphthalen-2-yl] 2,2-dimethylbutanoate;bis([6-[2-(2,2-difluoroethoxy)-2-oxoethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate);[4-[2-(2,2-difluoroethoxy)-2-oxoethoxy]-2,3,5,6-tetrafluorophenyl] 2,2-dimethylbutanoate;2,2-difluoroethyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate;2,2-difluoroethyl 2-[5-(2,2-dimethylbutanoylamino)naphthalen-1-yl]oxyacetate;2,2-difluoroethyl 2-[6-(2,2-dimethylbutanoylamino)naphthalen-2-yl]oxyacetate;[4-[2-(2,2-difluoropropoxy)-2-oxoethoxy]-3-methoxyphenyl] 2,2-dimethylbutanoate;methane?

The canonical SMILES for [4-[2-(2,2-difluoroethoxy)-2-oxoethoxy]-3,5-dimethylphenyl] 2,2-dimethylbutanoate;[6-[2-(2,2-difluoroethoxy)-2-oxoethoxy]naphthalen-2-yl] 2,2-dimethylbutanoate;bis([6-[2-(2,2-difluoroethoxy)-2-oxoethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate);[4-[2-(2,2-difluoroethoxy)-2-oxoethoxy]-2,3,5,6-tetrafluorophenyl] 2,2-dimethylbutanoate;2,2-difluoroethyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate;2,2-difluoroethyl 2-[5-(2,2-dimethylbutanoylamino)naphthalen-1-yl]oxyacetate;2,2-difluoroethyl 2-[6-(2,2-dimethylbutanoylamino)naphthalen-2-yl]oxyacetate;[4-[2-(2,2-difluoropropoxy)-2-oxoethoxy]-3-methoxyphenyl] 2,2-dimethylbutanoate;methane is C.C.C.C.C.C.C.C.C.C.CCC(C)(C)C(=O)NCc1ccc2cc(OCC(=O)OCC(F)F)ccc2c1.CCC(C)(C)C(=O)Nc1ccc2cc(OCC(=O)OCC(F)F)ccc2c1.CCC(C)(C)C(=O)Nc1cccc2c(OCC(=O)OCC(F)F)cccc12.CCC(C)(C)C(=O)OCc1ccc2cc(OCC(=O)OCC(F)F)ccc2c1.CCC(C)(C)C(=O)OCc1ccc2cc(OCC(=O)OCC(F)F)ccc2c1.CCC(C)(C)C(=O)Oc1c(F)c(F)c(OCC(=O)OCC(F)F)c(F)c1F.CCC(C)(C)C(=O)Oc1cc(C)c(OCC(=O)OCC(F)F)c(C)c1.CCC(C)(C)C(=O)Oc1ccc(OCC(=O)OCC(C)(F)F)c(OC)c1.CCC(C)(C)C(=O)Oc1ccc2cc(OCC(=O)OCC(F)F)ccc2c1.

What is the InChIKey of [4-[2-(2,2-difluoroethoxy)-2-oxoethoxy]-3,5-dimethylphenyl] 2,2-dimethylbutanoate;[6-[2-(2,2-difluoroethoxy)-2-oxoethoxy]naphthalen-2-yl] 2,2-dimethylbutanoate;bis([6-[2-(2,2-difluoroethoxy)-2-oxoethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate);[4-[2-(2,2-difluoroethoxy)-2-oxoethoxy]-2,3,5,6-tetrafluorophenyl] 2,2-dimethylbutanoate;2,2-difluoroethyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate;2,2-difluoroethyl 2-[5-(2,2-dimethylbutanoylamino)naphthalen-1-yl]oxyacetate;2,2-difluoroethyl 2-[6-(2,2-dimethylbutanoylamino)naphthalen-2-yl]oxyacetate;[4-[2-(2,2-difluoropropoxy)-2-oxoethoxy]-3-methoxyphenyl] 2,2-dimethylbutanoate;methane?

The InChIKey is SPSXLORKQJTJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2NO4.2C21H24F2O5.2C20H23F2NO4.C20H22F2O5.C18H24F2O6.C18H24F2O5.C16H16F6O5.10CH4/c1-4-21(2,3)20(26)24-11-14-5-6-16-10-17(8-7-15(16)9-14)27-13-19(25)28-12-18(22)23;2*1-4-21(2,3)20(25)28-11-14-5-6-16-10-17(8-7-15(16)9-14)26-13-19(24)27-12-18(22)23;1-4-20(2,3)19(25)23-15-9-5-8-14-13(15)7-6-10-16(14)26-12-18(24)27-11-17(21)22;1-4-20(2,3)19(25)23-15-7-5-14-10-16(8-6-13(14)9-15)26-12-18(24)27-11-17(21)22;1-4-20(2,3)19(24)27-16-8-6-13-9-15(7-5-14(13)10-16)25-12-18(23)26-11-17(21)22;1-6-17(2,3)16(22)26-12-7-8-13(14(9-12)23-5)24-10-15(21)25-11-18(4,19)20;1-6-18(4,5)17(22)25-13-7-11(2)16(12(3)8-13)24-10-15(21)23-9-14(19)20;1-4-16(2,3)15(24)27-14-11(21)9(19)13(10(20)12(14)22)26-6-8(23)25-5-7(17)18;;;;;;;;;;/h5-10,18H,4,11-13H2,1-3H3,(H,24,26);2*5-10,18H,4,11-13H2,1-3H3;2*5-10,17H,4,11-12H2,1-3H3,(H,23,25);5-10,17H,4,11-12H2,1-3H3;7-9H,6,10-11H2,1-5H3;7-8,14H,6,9-10H2,1-5H3;7H,4-6H2,1-3H3;10*1H4.

What are the key properties of [4-[2-(2,2-difluoroethoxy)-2-oxoethoxy]-3,5-dimethylphenyl] 2,2-dimethylbutanoate;[6-[2-(2,2-difluoroethoxy)-2-oxoethoxy]naphthalen-2-yl] 2,2-dimethylbutanoate;bis([6-[2-(2,2-difluoroethoxy)-2-oxoethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate);[4-[2-(2,2-difluoroethoxy)-2-oxoethoxy]-2,3,5,6-tetrafluorophenyl] 2,2-dimethylbutanoate;2,2-difluoroethyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate;2,2-difluoroethyl 2-[5-(2,2-dimethylbutanoylamino)naphthalen-1-yl]oxyacetate;2,2-difluoroethyl 2-[6-(2,2-dimethylbutanoylamino)naphthalen-2-yl]oxyacetate;[4-[2-(2,2-difluoropropoxy)-2-oxoethoxy]-3-methoxyphenyl] 2,2-dimethylbutanoate;methane?

[4-[2-(2,2-difluoroethoxy)-2-oxoethoxy]-3,5-dimethylphenyl] 2,2-dimethylbutanoate;[6-[2-(2,2-difluoroethoxy)-2-oxoethoxy]naphthalen-2-yl] 2,2-dimethylbutanoate;bis([6-[2-(2,2-difluoroethoxy)-2-oxoethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate);[4-[2-(2,2-difluoroethoxy)-2-oxoethoxy]-2,3,5,6-tetrafluorophenyl] 2,2-dimethylbutanoate;2,2-difluoroethyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate;2,2-difluoroethyl 2-[5-(2,2-dimethylbutanoylamino)naphthalen-1-yl]oxyacetate;2,2-difluoroethyl 2-[6-(2,2-dimethylbutanoylamino)naphthalen-2-yl]oxyacetate;[4-[2-(2,2-difluoropropoxy)-2-oxoethoxy]-3-methoxyphenyl] 2,2-dimethylbutanoate;methane has a molecular weight of 3616.93 g/mol, XLogP of 43.84, 76 rotatable bonds, 3 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-(2,2-difluoroethoxy)-2-oxoethoxy]-3,5-dimethylphenyl] 2,2-dimethylbutanoate;[6-[2-(2,2-difluoroethoxy)-2-oxoethoxy]naphthalen-2-yl] 2,2-dimethylbutanoate;bis([6-[2-(2,2-difluoroethoxy)-2-oxoethoxy]naphthalen-2-yl]methyl 2,2-dimethylbutanoate);[4-[2-(2,2-difluoroethoxy)-2-oxoethoxy]-2,3,5,6-tetrafluorophenyl] 2,2-dimethylbutanoate;2,2-difluoroethyl 2-[6-[(2,2-dimethylbutanoylamino)methyl]naphthalen-2-yl]oxyacetate;2,2-difluoroethyl 2-[5-(2,2-dimethylbutanoylamino)naphthalen-1-yl]oxyacetate;2,2-difluoroethyl 2-[6-(2,2-dimethylbutanoylamino)naphthalen-2-yl]oxyacetate;[4-[2-(2,2-difluoropropoxy)-2-oxoethoxy]-3-methoxyphenyl] 2,2-dimethylbutanoate;methane is sourced from PubChem (CID 160902847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).