[(3R,4S)-1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane

C24H34FNOSi — CID 68913625

IUPAC[(3R,4S)-1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CN(Cc2ccccc2)C[C@@H]1c1cccc(F)c1
InChIInChI=1S/C24H34FNOSi/c1-24(2,3)28(4,5)27-18-21-16-26(15-19-10-7-6-8-11-19)17-23(21)20-12-9-13-22(25)14-20/h6-14,21,23H,15-18H2,1-5H3/t21-,23-/m1/s1
InChIKeyUPLLRHMQYGRWHH-FYYLOGMGSA-N
MW399.63 g/mol
LogP6.06
Rot. Bonds6

About [(3R,4S)-1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane

[(3R,4S)-1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 68913625) has the molecular formula C24H34FNOSi and a molecular weight of 399.63 g/mol. Its IUPAC name is [(3R,4S)-1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3R,4S)-1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID68913625
Molecular FormulaC24H34FNOSi
Molecular Weight399.63 g/mol
Exact Mass399.24
IUPAC Name[(3R,4S)-1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CN(Cc2ccccc2)C[C@@H]1c1cccc(F)c1
InChIInChI=1S/C24H34FNOSi/c1-24(2,3)28(4,5)27-18-21-16-26(15-19-10-7-6-8-11-19)17-23(21)20-12-9-13-22(25)14-20/h6-14,21,23H,15-18H2,1-5H3/t21-,23-/m1/s1
InChIKeyUPLLRHMQYGRWHH-FYYLOGMGSA-N
XLogP6.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.63
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(3R,4S)-1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3R,4S)-1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane (CID 68913625) is [(3R,4S)-1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3R,4S)-1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3R,4S)-1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@H]1CN(Cc2ccccc2)C[C@@H]1c1cccc(F)c1.
What is the InChIKey of [(3R,4S)-1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is UPLLRHMQYGRWHH-FYYLOGMGSA-N. The full InChI is InChI=1S/C24H34FNOSi/c1-24(2,3)28(4,5)27-18-21-16-26(15-19-10-7-6-8-11-19)17-23(21)20-12-9-13-22(25)14-20/h6-14,21,23H,15-18H2,1-5H3/t21-,23-/m1/s1.
What are the key properties of [(3R,4S)-1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane?
[(3R,4S)-1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 399.63 g/mol, XLogP of 6.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 68913625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).