7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenyl]sulfinyl-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenyl]sulfonyl-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[[3-(1,1-difluoroethyl)phenyl]methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]acetate;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-2-[3-(trifluoromethyl)phenyl]acetate;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-2-[3-(trifluoromethyl)phenyl]propanoate

C148H148Cl6F12N24O29S2 — CID 157299839

About 7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenyl]sulfinyl-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenyl]sulfonyl-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[[3-(1,1-difluoroethyl)phenyl]methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]acetate;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-2-[3-(trifluoromethyl)phenyl]acetate;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-2-[3-(trifluoromethyl)phenyl]propanoate

7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenyl]sulfinyl-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenyl]sulfonyl-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[[3-(1,1-difluoroethyl)phenyl]methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]acetate;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-2-[3-(trifluoromethyl)phenyl]acetate;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-2-[3-(trifluoromethyl)phenyl]propanoate (PubChem CID 157299839) has the molecular formula C148H148Cl6F12N24O29S2 and a molecular weight of 3231.78 g/mol. Its IUPAC name is 7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenyl]sulfinyl-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenyl]sulfonyl-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[[3-(1,1-difluoroethyl)phenyl]methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]acetate;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-2-[3-(trifluoromethyl)phenyl]acetate;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-2-[3-(trifluoromethyl)phenyl]propanoate.

Molecular Properties

• Compound Name: 7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenyl]sulfinyl-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenyl]sulfonyl-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[[3-(1,1-difluoroethyl)phenyl]methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]acetate;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-2-[3-(trifluoromethyl)phenyl]acetate;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-2-[3-(trifluoromethyl)phenyl]propanoate
• PubChem CID: 157299839
• Molecular Formula: C148H148Cl6F12N24O29S2
• Molecular Weight: 3231.78 g/mol
• Exact Mass: 3226.82
• IUPAC Name: 7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenyl]sulfinyl-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenyl]sulfonyl-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[[3-(1,1-difluoroethyl)phenyl]methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]acetate;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-2-[3-(trifluoromethyl)phenyl]acetate;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-2-[3-(trifluoromethyl)phenyl]propanoate
• SMILES: CCOC(=O)C(C)(c1cccc(C(F)(F)F)c1)c1nc2c(c(=O)n(CCCO)c(=O)n2C)n1Cc1ccc(Cl)cc1.CCOC(=O)C(c1cccc(C(F)(F)F)c1)c1nc2c(c(=O)n(CCCO)c(=O)n2C)n1Cc1ccc(Cl)cc1.CCOC(=O)Cc1nc2c(c(=O)n(CCCO)c(=O)n2C)n1Cc1ccc(Cl)cc1.Cn1c(=O)n(CCCO)c(=O)c2c1nc(Cc1cccc(C(C)(F)F)c1)n2Cc1ccc(Cl)cc1.Cn1c(=O)n(CCCO)c(=O)c2c1nc(S(=O)(=O)c1cccc(OC(C)(F)F)c1)n2Cc1ccc(Cl)cc1.Cn1c(=O)n(CCCO)c(=O)c2c1nc(S(=O)c1cccc(OC(C)(F)F)c1)n2Cc1ccc(Cl)cc1
• InChI: InChI=1S/C28H28ClF3N4O5.C27H26ClF3N4O5.C25H25ClF2N4O3.C24H23ClF2N4O6S.C24H23ClF2N4O5S.C20H23ClN4O5/c1-4-41-25(39)27(2,18-7-5-8-19(15-18)28(30,31)32)24-33-22-21(36(24)16-17-9-11-20(29)12-10-17)23(38)35(13-6-14-37)26(40)34(22)3;1-3-40-25(38)20(17-6-4-7-18(14-17)27(29,30)31)22-32-23-21(35(22)15-16-8-10-19(28)11-9-16)24(37)34(12-5-13-36)26(39)33(23)2;1-25(27,28)18-6-3-5-17(13-18)14-20-29-22-21(32(20)15-16-7-9-19(26)10-8-16)23(34)31(11-4-12-33)24(35)30(22)2;1-24(26,27)37-17-5-3-6-18(13-17)38(35,36)22-28-20-19(31(22)14-15-7-9-16(25)10-8-15)21(33)30(11-4-12-32)23(34)29(20)2;1-24(26,27)36-17-5-3-6-18(13-17)37(35)22-28-20-19(31(22)14-15-7-9-16(25)10-8-15)21(33)30(11-4-12-32)23(34)29(20)2;1-3-30-16(27)11-15-22-18-17(25(15)12-13-5-7-14(21)8-6-13)19(28)24(9-4-10-26)20(29)23(18)2/h5,7-12,15,37H,4,6,13-14,16H2,1-3H3;4,6-11,14,20,36H,3,5,12-13,15H2,1-2H3;3,5-10,13,33H,4,11-12,14-15H2,1-2H3;3,5-10,13,32H,4,11-12,14H2,1-2H3;3,5-10,13,32H,4,11-12,14H2,1-2H3;5-8,26H,3-4,9-12H2,1-2H3
• InChIKey: BBTQNALJNBVYFP-UHFFFAOYSA-N
• XLogP: 18.28
• TPSA: 640.87 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 53
• Rotatable Bonds: 52
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3231.78
LogP ≤ 5	18.28
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	53

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenyl]sulfinyl-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenyl]sulfonyl-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[[3-(1,1-difluoroethyl)phenyl]methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]acetate;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-2-[3-(trifluoromethyl)phenyl]acetate;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-2-[3-(trifluoromethyl)phenyl]propanoate?

The IUPAC name of 7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenyl]sulfinyl-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenyl]sulfonyl-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[[3-(1,1-difluoroethyl)phenyl]methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]acetate;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-2-[3-(trifluoromethyl)phenyl]acetate;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-2-[3-(trifluoromethyl)phenyl]propanoate (CID 157299839) is 7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenyl]sulfinyl-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenyl]sulfonyl-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[[3-(1,1-difluoroethyl)phenyl]methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]acetate;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-2-[3-(trifluoromethyl)phenyl]acetate;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-2-[3-(trifluoromethyl)phenyl]propanoate.

What is the SMILES notation for 7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenyl]sulfinyl-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenyl]sulfonyl-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[[3-(1,1-difluoroethyl)phenyl]methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]acetate;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-2-[3-(trifluoromethyl)phenyl]acetate;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-2-[3-(trifluoromethyl)phenyl]propanoate?

The canonical SMILES for 7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenyl]sulfinyl-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenyl]sulfonyl-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[[3-(1,1-difluoroethyl)phenyl]methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]acetate;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-2-[3-(trifluoromethyl)phenyl]acetate;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-2-[3-(trifluoromethyl)phenyl]propanoate is CCOC(=O)C(C)(c1cccc(C(F)(F)F)c1)c1nc2c(c(=O)n(CCCO)c(=O)n2C)n1Cc1ccc(Cl)cc1.CCOC(=O)C(c1cccc(C(F)(F)F)c1)c1nc2c(c(=O)n(CCCO)c(=O)n2C)n1Cc1ccc(Cl)cc1.CCOC(=O)Cc1nc2c(c(=O)n(CCCO)c(=O)n2C)n1Cc1ccc(Cl)cc1.Cn1c(=O)n(CCCO)c(=O)c2c1nc(Cc1cccc(C(C)(F)F)c1)n2Cc1ccc(Cl)cc1.Cn1c(=O)n(CCCO)c(=O)c2c1nc(S(=O)(=O)c1cccc(OC(C)(F)F)c1)n2Cc1ccc(Cl)cc1.Cn1c(=O)n(CCCO)c(=O)c2c1nc(S(=O)c1cccc(OC(C)(F)F)c1)n2Cc1ccc(Cl)cc1.

What is the InChIKey of 7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenyl]sulfinyl-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenyl]sulfonyl-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[[3-(1,1-difluoroethyl)phenyl]methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]acetate;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-2-[3-(trifluoromethyl)phenyl]acetate;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-2-[3-(trifluoromethyl)phenyl]propanoate?

The InChIKey is BBTQNALJNBVYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClF3N4O5.C27H26ClF3N4O5.C25H25ClF2N4O3.C24H23ClF2N4O6S.C24H23ClF2N4O5S.C20H23ClN4O5/c1-4-41-25(39)27(2,18-7-5-8-19(15-18)28(30,31)32)24-33-22-21(36(24)16-17-9-11-20(29)12-10-17)23(38)35(13-6-14-37)26(40)34(22)3;1-3-40-25(38)20(17-6-4-7-18(14-17)27(29,30)31)22-32-23-21(35(22)15-16-8-10-19(28)11-9-16)24(37)34(12-5-13-36)26(39)33(23)2;1-25(27,28)18-6-3-5-17(13-18)14-20-29-22-21(32(20)15-16-7-9-19(26)10-8-16)23(34)31(11-4-12-33)24(35)30(22)2;1-24(26,27)37-17-5-3-6-18(13-17)38(35,36)22-28-20-19(31(22)14-15-7-9-16(25)10-8-15)21(33)30(11-4-12-32)23(34)29(20)2;1-24(26,27)36-17-5-3-6-18(13-17)37(35)22-28-20-19(31(22)14-15-7-9-16(25)10-8-15)21(33)30(11-4-12-32)23(34)29(20)2;1-3-30-16(27)11-15-22-18-17(25(15)12-13-5-7-14(21)8-6-13)19(28)24(9-4-10-26)20(29)23(18)2/h5,7-12,15,37H,4,6,13-14,16H2,1-3H3;4,6-11,14,20,36H,3,5,12-13,15H2,1-2H3;3,5-10,13,33H,4,11-12,14-15H2,1-2H3;3,5-10,13,32H,4,11-12,14H2,1-2H3;3,5-10,13,32H,4,11-12,14H2,1-2H3;5-8,26H,3-4,9-12H2,1-2H3.

What are the key properties of 7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenyl]sulfinyl-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenyl]sulfonyl-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[[3-(1,1-difluoroethyl)phenyl]methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]acetate;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-2-[3-(trifluoromethyl)phenyl]acetate;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-2-[3-(trifluoromethyl)phenyl]propanoate?

7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenyl]sulfinyl-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenyl]sulfonyl-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[[3-(1,1-difluoroethyl)phenyl]methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]acetate;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-2-[3-(trifluoromethyl)phenyl]acetate;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-2-[3-(trifluoromethyl)phenyl]propanoate has a molecular weight of 3231.78 g/mol, XLogP of 18.28, 52 rotatable bonds, 6 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenyl]sulfinyl-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenyl]sulfonyl-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[[3-(1,1-difluoroethyl)phenyl]methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]acetate;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-2-[3-(trifluoromethyl)phenyl]acetate;ethyl 2-[7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-2-[3-(trifluoromethyl)phenyl]propanoate is sourced from PubChem (CID 157299839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).