(5R)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-5-methylpyrrolidin-2-one

C26H26F7NO2 — CID 11649261

About (5R)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-5-methylpyrrolidin-2-one

(5R)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-5-methylpyrrolidin-2-one (PubChem CID 11649261) has the molecular formula C26H26F7NO2 and a molecular weight of 517.49 g/mol. Its IUPAC name is (5R)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-5-methylpyrrolidin-2-one.

Molecular Properties

• Compound Name: (5R)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-5-methylpyrrolidin-2-one
• PubChem CID: 11649261
• Molecular Formula: C26H26F7NO2
• Molecular Weight: 517.49 g/mol
• Exact Mass: 517.19
• IUPAC Name: (5R)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-5-methylpyrrolidin-2-one
• SMILES: C[C@@H](O[C@H]1CC[C@@H]([C@@]2(C)CCC(=O)N2)[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
• InChI: InChI=1S/C26H26F7NO2/c1-14(16-11-17(25(28,29)30)13-18(12-16)26(31,32)33)36-21-8-7-20(24(2)10-9-22(35)34-24)23(21)15-3-5-19(27)6-4-15/h3-6,11-14,20-21,23H,7-10H2,1-2H3,(H,34,35)/t14-,20-,21+,23+,24-/m1/s1
• InChIKey: OUXBWZUXMVPYEY-JGJFRXLMSA-N
• XLogP: 7.17
• TPSA: 38.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.49
LogP ≤ 5	7.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-5-methylpyrrolidin-2-one?

The IUPAC name of (5R)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-5-methylpyrrolidin-2-one (CID 11649261) is (5R)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-5-methylpyrrolidin-2-one.

What is the SMILES notation for (5R)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-5-methylpyrrolidin-2-one?

The canonical SMILES for (5R)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-5-methylpyrrolidin-2-one is C[C@@H](O[C@H]1CC[C@@H]([C@@]2(C)CCC(=O)N2)[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.

What is the InChIKey of (5R)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-5-methylpyrrolidin-2-one?

The InChIKey is OUXBWZUXMVPYEY-JGJFRXLMSA-N. The full InChI is InChI=1S/C26H26F7NO2/c1-14(16-11-17(25(28,29)30)13-18(12-16)26(31,32)33)36-21-8-7-20(24(2)10-9-22(35)34-24)23(21)15-3-5-19(27)6-4-15/h3-6,11-14,20-21,23H,7-10H2,1-2H3,(H,34,35)/t14-,20-,21+,23+,24-/m1/s1.

What are the key properties of (5R)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-5-methylpyrrolidin-2-one?

(5R)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-5-methylpyrrolidin-2-one has a molecular weight of 517.49 g/mol, XLogP of 7.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-5-methylpyrrolidin-2-one is sourced from PubChem (CID 11649261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).