tert-butyl-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methoxy]-diphenylsilane

C21H28FNOSi — CID 170905036

IUPACtert-butyl-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@H]1CNC[C@@H]1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28FNOSi/c1-21(2,3)25(18-10-6-4-7-11-18,19-12-8-5-9-13-19)24-16-17-14-23-15-20(17)22/h4-13,17,20,23H,14-16H2,1-3H3/t17-,20+/m1/s1
InChIKeyZEKDVZCFZGUDBK-XLIONFOSSA-N
MW357.55 g/mol
LogP3.12
Rot. Bonds5

About tert-butyl-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methoxy]-diphenylsilane

tert-butyl-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methoxy]-diphenylsilane (PubChem CID 170905036) has the molecular formula C21H28FNOSi and a molecular weight of 357.55 g/mol. Its IUPAC name is tert-butyl-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methoxy]-diphenylsilane
PubChem CID170905036
Molecular FormulaC21H28FNOSi
Molecular Weight357.55 g/mol
Exact Mass357.19
IUPAC Nametert-butyl-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@H]1CNC[C@@H]1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28FNOSi/c1-21(2,3)25(18-10-6-4-7-11-18,19-12-8-5-9-13-19)24-16-17-14-23-15-20(17)22/h4-13,17,20,23H,14-16H2,1-3H3/t17-,20+/m1/s1
InChIKeyZEKDVZCFZGUDBK-XLIONFOSSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.55
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methoxy]-diphenylsilane 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,4R)-4-fluoropyrrolidin-3-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methoxy]-diphenylsilane (CID 170905036) is tert-butyl-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methoxy]-diphenylsilane is CC(C)(C)[Si](OC[C@H]1CNC[C@@H]1F)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methoxy]-diphenylsilane?
The InChIKey is ZEKDVZCFZGUDBK-XLIONFOSSA-N. The full InChI is InChI=1S/C21H28FNOSi/c1-21(2,3)25(18-10-6-4-7-11-18,19-12-8-5-9-13-19)24-16-17-14-23-15-20(17)22/h4-13,17,20,23H,14-16H2,1-3H3/t17-,20+/m1/s1.
What are the key properties of tert-butyl-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methoxy]-diphenylsilane?
tert-butyl-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methoxy]-diphenylsilane has a molecular weight of 357.55 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(3R,4R)-4-fluoropyrrolidin-3-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 170905036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).