(2R)-1-[(2S)-2-benzyl-2-methyl-4,4-diphenylpyrrolidin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one

C34H32F3NO2 — CID 56932060

About (2R)-1-[(2S)-2-benzyl-2-methyl-4,4-diphenylpyrrolidin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one

(2R)-1-[(2S)-2-benzyl-2-methyl-4,4-diphenylpyrrolidin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one (PubChem CID 56932060) has the molecular formula C34H32F3NO2 and a molecular weight of 543.63 g/mol. Its IUPAC name is (2R)-1-[(2S)-2-benzyl-2-methyl-4,4-diphenylpyrrolidin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one.

Molecular Properties

• Compound Name: (2R)-1-[(2S)-2-benzyl-2-methyl-4,4-diphenylpyrrolidin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one
• PubChem CID: 56932060
• Molecular Formula: C34H32F3NO2
• Molecular Weight: 543.63 g/mol
• Exact Mass: 543.24
• IUPAC Name: (2R)-1-[(2S)-2-benzyl-2-methyl-4,4-diphenylpyrrolidin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one
• SMILES: CO[C@@](C(=O)N1CC(c2ccccc2)(c2ccccc2)C[C@]1(C)Cc1ccccc1)(c1ccccc1)C(F)(F)F
• InChI: InChI=1S/C34H32F3NO2/c1-31(23-26-15-7-3-8-16-26)24-32(27-17-9-4-10-18-27,28-19-11-5-12-20-28)25-38(31)30(39)33(40-2,34(35,36)37)29-21-13-6-14-22-29/h3-22H,23-25H2,1-2H3/t31-,33+/m0/s1
• InChIKey: DBHISWVNJBYSEO-CQTOTRCISA-N
• XLogP: 7.31
• TPSA: 29.54 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.63
LogP ≤ 5	7.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-2-benzyl-2-methyl-4,4-diphenylpyrrolidin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one?

The IUPAC name of (2R)-1-[(2S)-2-benzyl-2-methyl-4,4-diphenylpyrrolidin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one (CID 56932060) is (2R)-1-[(2S)-2-benzyl-2-methyl-4,4-diphenylpyrrolidin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one.

What is the SMILES notation for (2R)-1-[(2S)-2-benzyl-2-methyl-4,4-diphenylpyrrolidin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one?

The canonical SMILES for (2R)-1-[(2S)-2-benzyl-2-methyl-4,4-diphenylpyrrolidin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one is CO[C@@](C(=O)N1CC(c2ccccc2)(c2ccccc2)C[C@]1(C)Cc1ccccc1)(c1ccccc1)C(F)(F)F.

What is the InChIKey of (2R)-1-[(2S)-2-benzyl-2-methyl-4,4-diphenylpyrrolidin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one?

The InChIKey is DBHISWVNJBYSEO-CQTOTRCISA-N. The full InChI is InChI=1S/C34H32F3NO2/c1-31(23-26-15-7-3-8-16-26)24-32(27-17-9-4-10-18-27,28-19-11-5-12-20-28)25-38(31)30(39)33(40-2,34(35,36)37)29-21-13-6-14-22-29/h3-22H,23-25H2,1-2H3/t31-,33+/m0/s1.

What are the key properties of (2R)-1-[(2S)-2-benzyl-2-methyl-4,4-diphenylpyrrolidin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one?

(2R)-1-[(2S)-2-benzyl-2-methyl-4,4-diphenylpyrrolidin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one has a molecular weight of 543.63 g/mol, XLogP of 7.31, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[(2S)-2-benzyl-2-methyl-4,4-diphenylpyrrolidin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one is sourced from PubChem (CID 56932060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).