4-benzyl-2-(2,6-diethyl-4-methylphenyl)cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[(2,4-difluorophenyl)methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[(2-fluorophenyl)methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-dione

C117H125F9O10 — CID 159104484

About 4-benzyl-2-(2,6-diethyl-4-methylphenyl)cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[(2,4-difluorophenyl)methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[(2-fluorophenyl)methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-dione

4-benzyl-2-(2,6-diethyl-4-methylphenyl)cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[(2,4-difluorophenyl)methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[(2-fluorophenyl)methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-dione (PubChem CID 159104484) has the molecular formula C117H125F9O10 and a molecular weight of 1862.26 g/mol. Its IUPAC name is 4-benzyl-2-(2,6-diethyl-4-methylphenyl)cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[(2,4-difluorophenyl)methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[(2-fluorophenyl)methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-dione.

Molecular Properties

• Compound Name: 4-benzyl-2-(2,6-diethyl-4-methylphenyl)cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[(2,4-difluorophenyl)methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[(2-fluorophenyl)methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-dione
• PubChem CID: 159104484
• Molecular Formula: C117H125F9O10
• Molecular Weight: 1862.26 g/mol
• Exact Mass: 1860.91
• IUPAC Name: 4-benzyl-2-(2,6-diethyl-4-methylphenyl)cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[(2,4-difluorophenyl)methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[(2-fluorophenyl)methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-dione
• SMILES: CCc1cc(C)cc(CC)c1C1C(=O)CC(Cc2ccc(C(F)(F)F)cc2)C1=O.CCc1cc(C)cc(CC)c1C1C(=O)CC(Cc2ccc(F)cc2F)C1=O.CCc1cc(C)cc(CC)c1C1C(=O)CC(Cc2cccc(C(F)(F)F)c2)C1=O.CCc1cc(C)cc(CC)c1C1C(=O)CC(Cc2ccccc2)C1=O.CCc1cc(C)cc(CC)c1C1C(=O)CC(Cc2ccccc2F)C1=O
• InChI: InChI=1S/2C24H25F3O2.C23H24F2O2.C23H25FO2.C23H26O2/c1-4-16-10-14(3)11-17(5-2)21(16)22-20(28)13-18(23(22)29)12-15-6-8-19(9-7-15)24(25,26)27;1-4-16-9-14(3)10-17(5-2)21(16)22-20(28)13-18(23(22)29)11-15-7-6-8-19(12-15)24(25,26)27;1-4-14-8-13(3)9-15(5-2)21(14)22-20(26)11-17(23(22)27)10-16-6-7-18(24)12-19(16)25;1-4-15-10-14(3)11-16(5-2)21(15)22-20(25)13-18(23(22)26)12-17-8-6-7-9-19(17)24;1-4-17-11-15(3)12-18(5-2)21(17)22-20(24)14-19(23(22)25)13-16-9-7-6-8-10-16/h6-11,18,22H,4-5,12-13H2,1-3H3;6-10,12,18,22H,4-5,11,13H2,1-3H3;6-9,12,17,22H,4-5,10-11H2,1-3H3;6-11,18,22H,4-5,12-13H2,1-3H3;6-12,19,22H,4-5,13-14H2,1-3H3
• InChIKey: KDRYKOOMWFZYQF-UHFFFAOYSA-N
• XLogP: 25.48
• TPSA: 170.70 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 25
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1862.26
LogP ≤ 5	25.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(2,6-diethyl-4-methylphenyl)cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[(2,4-difluorophenyl)methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[(2-fluorophenyl)methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-dione?

The IUPAC name of 4-benzyl-2-(2,6-diethyl-4-methylphenyl)cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[(2,4-difluorophenyl)methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[(2-fluorophenyl)methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-dione (CID 159104484) is 4-benzyl-2-(2,6-diethyl-4-methylphenyl)cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[(2,4-difluorophenyl)methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[(2-fluorophenyl)methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-dione.

What is the SMILES notation for 4-benzyl-2-(2,6-diethyl-4-methylphenyl)cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[(2,4-difluorophenyl)methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[(2-fluorophenyl)methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-dione?

The canonical SMILES for 4-benzyl-2-(2,6-diethyl-4-methylphenyl)cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[(2,4-difluorophenyl)methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[(2-fluorophenyl)methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-dione is CCc1cc(C)cc(CC)c1C1C(=O)CC(Cc2ccc(C(F)(F)F)cc2)C1=O.CCc1cc(C)cc(CC)c1C1C(=O)CC(Cc2ccc(F)cc2F)C1=O.CCc1cc(C)cc(CC)c1C1C(=O)CC(Cc2cccc(C(F)(F)F)c2)C1=O.CCc1cc(C)cc(CC)c1C1C(=O)CC(Cc2ccccc2)C1=O.CCc1cc(C)cc(CC)c1C1C(=O)CC(Cc2ccccc2F)C1=O.

What is the InChIKey of 4-benzyl-2-(2,6-diethyl-4-methylphenyl)cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[(2,4-difluorophenyl)methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[(2-fluorophenyl)methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-dione?

The InChIKey is KDRYKOOMWFZYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H25F3O2.C23H24F2O2.C23H25FO2.C23H26O2/c1-4-16-10-14(3)11-17(5-2)21(16)22-20(28)13-18(23(22)29)12-15-6-8-19(9-7-15)24(25,26)27;1-4-16-9-14(3)10-17(5-2)21(16)22-20(28)13-18(23(22)29)11-15-7-6-8-19(12-15)24(25,26)27;1-4-14-8-13(3)9-15(5-2)21(14)22-20(26)11-17(23(22)27)10-16-6-7-18(24)12-19(16)25;1-4-15-10-14(3)11-16(5-2)21(15)22-20(25)13-18(23(22)26)12-17-8-6-7-9-19(17)24;1-4-17-11-15(3)12-18(5-2)21(17)22-20(24)14-19(23(22)25)13-16-9-7-6-8-10-16/h6-11,18,22H,4-5,12-13H2,1-3H3;6-10,12,18,22H,4-5,11,13H2,1-3H3;6-9,12,17,22H,4-5,10-11H2,1-3H3;6-11,18,22H,4-5,12-13H2,1-3H3;6-12,19,22H,4-5,13-14H2,1-3H3.

What are the key properties of 4-benzyl-2-(2,6-diethyl-4-methylphenyl)cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[(2,4-difluorophenyl)methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[(2-fluorophenyl)methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-dione?

4-benzyl-2-(2,6-diethyl-4-methylphenyl)cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[(2,4-difluorophenyl)methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[(2-fluorophenyl)methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-dione has a molecular weight of 1862.26 g/mol, XLogP of 25.48, 25 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-benzyl-2-(2,6-diethyl-4-methylphenyl)cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[(2,4-difluorophenyl)methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[(2-fluorophenyl)methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-dione;2-(2,6-diethyl-4-methylphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-dione is sourced from PubChem (CID 159104484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).