tert-butyl-[[(3R,4S)-4-(2-fluorophenyl)pyrrolidin-3-yl]methoxy]-dimethylsilane

C17H28FNOSi — CID 68912480

IUPACtert-butyl-[[(3R,4S)-4-(2-fluorophenyl)pyrrolidin-3-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CNC[C@@H]1c1ccccc1F
InChIInChI=1S/C17H28FNOSi/c1-17(2,3)21(4,5)20-12-13-10-19-11-15(13)14-8-6-7-9-16(14)18/h6-9,13,15,19H,10-12H2,1-5H3/t13-,15+/m1/s1
InChIKeyUSRAEKRTFFCGDQ-HIFRSBDPSA-N
MW309.50 g/mol
LogP4.15
Rot. Bonds4

About tert-butyl-[[(3R,4S)-4-(2-fluorophenyl)pyrrolidin-3-yl]methoxy]-dimethylsilane

tert-butyl-[[(3R,4S)-4-(2-fluorophenyl)pyrrolidin-3-yl]methoxy]-dimethylsilane (PubChem CID 68912480) has the molecular formula C17H28FNOSi and a molecular weight of 309.50 g/mol. Its IUPAC name is tert-butyl-[[(3R,4S)-4-(2-fluorophenyl)pyrrolidin-3-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(3R,4S)-4-(2-fluorophenyl)pyrrolidin-3-yl]methoxy]-dimethylsilane
PubChem CID68912480
Molecular FormulaC17H28FNOSi
Molecular Weight309.50 g/mol
Exact Mass309.19
IUPAC Nametert-butyl-[[(3R,4S)-4-(2-fluorophenyl)pyrrolidin-3-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1CNC[C@@H]1c1ccccc1F
InChIInChI=1S/C17H28FNOSi/c1-17(2,3)21(4,5)20-12-13-10-19-11-15(13)14-8-6-7-9-16(14)18/h6-9,13,15,19H,10-12H2,1-5H3/t13-,15+/m1/s1
InChIKeyUSRAEKRTFFCGDQ-HIFRSBDPSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-[[(3R,4S)-4-(2-fluorophenyl)pyrrolidin-3-yl]methoxy]-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 tert-butyl-[[(3R,4S)-4-(2-fluorophenyl)pyrrolidin-3-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(3R,4S)-4-(2-fluorophenyl)pyrrolidin-3-yl]methoxy]-dimethylsilane (CID 68912480) is tert-butyl-[[(3R,4S)-4-(2-fluorophenyl)pyrrolidin-3-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(3R,4S)-4-(2-fluorophenyl)pyrrolidin-3-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(3R,4S)-4-(2-fluorophenyl)pyrrolidin-3-yl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@H]1CNC[C@@H]1c1ccccc1F.
What is the InChIKey of tert-butyl-[[(3R,4S)-4-(2-fluorophenyl)pyrrolidin-3-yl]methoxy]-dimethylsilane?
The InChIKey is USRAEKRTFFCGDQ-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H28FNOSi/c1-17(2,3)21(4,5)20-12-13-10-19-11-15(13)14-8-6-7-9-16(14)18/h6-9,13,15,19H,10-12H2,1-5H3/t13-,15+/m1/s1.
What are the key properties of tert-butyl-[[(3R,4S)-4-(2-fluorophenyl)pyrrolidin-3-yl]methoxy]-dimethylsilane?
tert-butyl-[[(3R,4S)-4-(2-fluorophenyl)pyrrolidin-3-yl]methoxy]-dimethylsilane has a molecular weight of 309.50 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(3R,4S)-4-(2-fluorophenyl)pyrrolidin-3-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 68912480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).