(3R,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoropyrrolidin-2-one

C28H32FNO2Si — CID 101170042

IUPAC(3R,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoropyrrolidin-2-one
SMILESCC(C)(C)[Si](OC[C@@H]1C[C@@H](F)C(=O)N1Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32FNO2Si/c1-28(2,3)33(24-15-9-5-10-16-24,25-17-11-6-12-18-25)32-21-23-19-26(29)27(31)30(23)20-22-13-7-4-8-14-22/h4-18,23,26H,19-21H2,1-3H3/t23-,26+/m0/s1
InChIKeyLXDHRIBLFKZGRF-JYFHCDHNSA-N
MW461.65 g/mol
LogP4.70
Rot. Bonds7

About (3R,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoropyrrolidin-2-one

(3R,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoropyrrolidin-2-one (PubChem CID 101170042) has the molecular formula C28H32FNO2Si and a molecular weight of 461.65 g/mol. Its IUPAC name is (3R,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoropyrrolidin-2-one.

Molecular Properties

Compound Name(3R,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoropyrrolidin-2-one
PubChem CID101170042
Molecular FormulaC28H32FNO2Si
Molecular Weight461.65 g/mol
Exact Mass461.22
IUPAC Name(3R,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoropyrrolidin-2-one
SMILESCC(C)(C)[Si](OC[C@@H]1C[C@@H](F)C(=O)N1Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32FNO2Si/c1-28(2,3)33(24-15-9-5-10-16-24,25-17-11-6-12-18-25)32-21-23-19-26(29)27(31)30(23)20-22-13-7-4-8-14-22/h4-18,23,26H,19-21H2,1-3H3/t23-,26+/m0/s1
InChIKeyLXDHRIBLFKZGRF-JYFHCDHNSA-N
XLogP4.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.65
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-3-[(4-fluorophenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 18464463
(3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[(4-fluorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 54444544
1-((S)-alpha-methylbenzyl)-3-(4-fluorophenylmethyl)-3-(2-(t-butyldimethylsilyloxy)ethyl)-2-oxopyrrolidine
CID 54444545
1-((R)-alpha-methylbenzyl)-3-(4-fluorophenylmethyl)-3-(2-(t-butyldimethylsilyloxy)ethyl)-2-oxopyrrolidine
CID 54444546
(6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(3,4-difluorophenyl)methyl]piperidin-2-one
CID 175835341
(5S)-1-benzyl-5-(methoxymethyl)pyrrolidin-2-one
CID 11746118
(5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
CID 11070292
(4S)-3-[(4R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylpentanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 11260848
[(2S)-1-benzylpyrrolidin-2-yl]methoxy-tert-butyl-diphenylsilane
CID 46873547
(4S)-3-[(3R)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 135022739
(4S,5S)-1-benzyl-4-(tert-butyl-fluoro-phenylsilyl)oxy-5-phenylpyrrolidin-2-one
CID 11525174
(3R,5S)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoropyrrolidin-2-one
CID 101170041

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoropyrrolidin-2-one?
The IUPAC name of (3R,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoropyrrolidin-2-one (CID 101170042) is (3R,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoropyrrolidin-2-one.
What is the SMILES notation for (3R,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoropyrrolidin-2-one?
The canonical SMILES for (3R,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoropyrrolidin-2-one is CC(C)(C)[Si](OC[C@@H]1C[C@@H](F)C(=O)N1Cc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3R,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoropyrrolidin-2-one?
The InChIKey is LXDHRIBLFKZGRF-JYFHCDHNSA-N. The full InChI is InChI=1S/C28H32FNO2Si/c1-28(2,3)33(24-15-9-5-10-16-24,25-17-11-6-12-18-25)32-21-23-19-26(29)27(31)30(23)20-22-13-7-4-8-14-22/h4-18,23,26H,19-21H2,1-3H3/t23-,26+/m0/s1.
What are the key properties of (3R,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoropyrrolidin-2-one?
(3R,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoropyrrolidin-2-one has a molecular weight of 461.65 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoropyrrolidin-2-one is sourced from PubChem (CID 101170042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).