tert-butyl-[1-(3-fluoropyrrolidin-3-yl)ethoxy]-dimethylsilane

C12H26FNOSi — CID 178035072

IUPACtert-butyl-[1-(3-fluoropyrrolidin-3-yl)ethoxy]-dimethylsilane
SMILESCC(O[Si](C)(C)C(C)(C)C)C1(F)CCNC1
InChIInChI=1S/C12H26FNOSi/c1-10(12(13)7-8-14-9-12)15-16(5,6)11(2,3)4/h10,14H,7-9H2,1-6H3
InChIKeyDBKXUIJVHKHRDP-UHFFFAOYSA-N
MW247.43 g/mol
LogP3.10
Rot. Bonds3

About tert-butyl-[1-(3-fluoropyrrolidin-3-yl)ethoxy]-dimethylsilane

tert-butyl-[1-(3-fluoropyrrolidin-3-yl)ethoxy]-dimethylsilane (PubChem CID 178035072) has the molecular formula C12H26FNOSi and a molecular weight of 247.43 g/mol. Its IUPAC name is tert-butyl-[1-(3-fluoropyrrolidin-3-yl)ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-(3-fluoropyrrolidin-3-yl)ethoxy]-dimethylsilane
PubChem CID178035072
Molecular FormulaC12H26FNOSi
Molecular Weight247.43 g/mol
Exact Mass247.18
IUPAC Nametert-butyl-[1-(3-fluoropyrrolidin-3-yl)ethoxy]-dimethylsilane
SMILESCC(O[Si](C)(C)C(C)(C)C)C1(F)CCNC1
InChIInChI=1S/C12H26FNOSi/c1-10(12(13)7-8-14-9-12)15-16(5,6)11(2,3)4/h10,14H,7-9H2,1-6H3
InChIKeyDBKXUIJVHKHRDP-UHFFFAOYSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-[1-(3-fluoropyrrolidin-3-yl)ethoxy]-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-[1-(3-fluoropyrrolidin-3-yl)ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[1-(3-fluoropyrrolidin-3-yl)ethoxy]-dimethylsilane (CID 178035072) is tert-butyl-[1-(3-fluoropyrrolidin-3-yl)ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-(3-fluoropyrrolidin-3-yl)ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[1-(3-fluoropyrrolidin-3-yl)ethoxy]-dimethylsilane is CC(O[Si](C)(C)C(C)(C)C)C1(F)CCNC1.
What is the InChIKey of tert-butyl-[1-(3-fluoropyrrolidin-3-yl)ethoxy]-dimethylsilane?
The InChIKey is DBKXUIJVHKHRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26FNOSi/c1-10(12(13)7-8-14-9-12)15-16(5,6)11(2,3)4/h10,14H,7-9H2,1-6H3.
What are the key properties of tert-butyl-[1-(3-fluoropyrrolidin-3-yl)ethoxy]-dimethylsilane?
tert-butyl-[1-(3-fluoropyrrolidin-3-yl)ethoxy]-dimethylsilane has a molecular weight of 247.43 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-(3-fluoropyrrolidin-3-yl)ethoxy]-dimethylsilane is sourced from PubChem (CID 178035072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).