tert-butyl-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-dimethylsilane

C12H26FNOSi — CID 169004849

IUPACtert-butyl-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCN1CC[C@@H](F)C1
InChIInChI=1S/C12H26FNOSi/c1-12(2,3)16(4,5)15-9-8-14-7-6-11(13)10-14/h11H,6-10H2,1-5H3/t11-/m1/s1
InChIKeyAESAUWNDANFTME-LLVKDONJSA-N
MW247.43 g/mol
LogP3.05
Rot. Bonds4

About tert-butyl-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-dimethylsilane

tert-butyl-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-dimethylsilane (PubChem CID 169004849) has the molecular formula C12H26FNOSi and a molecular weight of 247.43 g/mol. Its IUPAC name is tert-butyl-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-dimethylsilane
PubChem CID169004849
Molecular FormulaC12H26FNOSi
Molecular Weight247.43 g/mol
Exact Mass247.18
IUPAC Nametert-butyl-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCN1CC[C@@H](F)C1
InChIInChI=1S/C12H26FNOSi/c1-12(2,3)16(4,5)15-9-8-14-7-6-11(13)10-14/h11H,6-10H2,1-5H3/t11-/m1/s1
InChIKeyAESAUWNDANFTME-LLVKDONJSA-N
XLogP3.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-dimethylsilane (CID 169004849) is tert-butyl-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCN1CC[C@@H](F)C1.
What is the InChIKey of tert-butyl-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-dimethylsilane?
The InChIKey is AESAUWNDANFTME-LLVKDONJSA-N. The full InChI is InChI=1S/C12H26FNOSi/c1-12(2,3)16(4,5)15-9-8-14-7-6-11(13)10-14/h11H,6-10H2,1-5H3/t11-/m1/s1.
What are the key properties of tert-butyl-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-dimethylsilane?
tert-butyl-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-dimethylsilane has a molecular weight of 247.43 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-dimethylsilane is sourced from PubChem (CID 169004849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).