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

C18H28FNO2Si — CID 101170041

IUPAC(3R,5S)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoropyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H](F)C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H28FNO2Si/c1-18(2,3)23(4,5)22-13-15-11-16(19)17(21)20(15)12-14-9-7-6-8-10-14/h6-10,15-16H,11-13H2,1-5H3/t15-,16+/m0/s1
InChIKeyPVTGZMRPZRVAPG-JKSUJKDBSA-N
MW337.51 g/mol
LogP4.15
Rot. Bonds5

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

(3R,5S)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoropyrrolidin-2-one (PubChem CID 101170041) has the molecular formula C18H28FNO2Si and a molecular weight of 337.51 g/mol. Its IUPAC name is (3R,5S)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoropyrrolidin-2-one.

Molecular Properties

Compound Name(3R,5S)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoropyrrolidin-2-one
PubChem CID101170041
Molecular FormulaC18H28FNO2Si
Molecular Weight337.51 g/mol
Exact Mass337.19
IUPAC Name(3R,5S)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoropyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H](F)C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H28FNO2Si/c1-18(2,3)23(4,5)22-13-15-11-16(19)17(21)20(15)12-14-9-7-6-8-10-14/h6-10,15-16H,11-13H2,1-5H3/t15-,16+/m0/s1
InChIKeyPVTGZMRPZRVAPG-JKSUJKDBSA-N
XLogP4.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R,5S)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoropyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R*,4S*,5R*)-5-allyl-1-benzyl-3,4-bis(tert-butyldimethylsilyloxy)-2-pyrrolidinone
CID 10412681
(5S)-5-[(1R)-2-[di(butan-2-yl)amino]-1-hydroxyethyl]-1-[(2-fluorophenyl)methyl]pyrrolidin-2-one
CID 18641378
(5S)-5-[(1S)-2-[di(butan-2-yl)amino]-1-hydroxyethyl]-1-[(2-fluorophenyl)methyl]pyrrolidin-2-one
CID 18641390
1-[(4-Fluorophenyl)methyl]-5-(hydroxymethyl)-4-propan-2-ylpyrrolidin-2-one
CID 19822513
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(2-ethynyl-5-fluorophenyl)pyrrolidin-2-one
CID 58703936
(4R,5S)-1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-4-propan-2-ylpyrrolidin-2-one
CID 67931363
(4S,5R)-1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-4-propan-2-ylpyrrolidin-2-one
CID 67931368
(S)-3-((tert-butyldimethylsilyl)oxy)-1-(4-(difluoromethyl)benzyl)pyrrolidin-2-one
CID 123626683
3-Fluoro-4-(2-hydroxyethyl)-1-(1-phenylethyl)pyrrolidin-2-one
CID 143715118
3-fluoro-4-(2-hydroxyethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 143715273
1-[4-Fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-5-methoxy-2-methylidenepentan-1-one
CID 156208900
1-[4-Fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-4-(methoxymethyl)pent-4-en-1-one
CID 156216661

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoropyrrolidin-2-one?
The IUPAC name of (3R,5S)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoropyrrolidin-2-one (CID 101170041) is (3R,5S)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoropyrrolidin-2-one.
What is the SMILES notation for (3R,5S)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoropyrrolidin-2-one?
The canonical SMILES for (3R,5S)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoropyrrolidin-2-one is CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H](F)C(=O)N1Cc1ccccc1.
What is the InChIKey of (3R,5S)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoropyrrolidin-2-one?
The InChIKey is PVTGZMRPZRVAPG-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H28FNO2Si/c1-18(2,3)23(4,5)22-13-15-11-16(19)17(21)20(15)12-14-9-7-6-8-10-14/h6-10,15-16H,11-13H2,1-5H3/t15-,16+/m0/s1.
What are the key properties of (3R,5S)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoropyrrolidin-2-one?
(3R,5S)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoropyrrolidin-2-one has a molecular weight of 337.51 g/mol, XLogP of 4.15, 5 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(dimethyl)silyl]oxymethyl]-3-fluoropyrrolidin-2-one is sourced from PubChem (CID 101170041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).