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

C13H28FNOSi — CID 90288475

IUPACtert-butyl-[3-[(3R)-3-fluoropyrrolidin-1-yl]propoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCN1CC[C@@H](F)C1
InChIInChI=1S/C13H28FNOSi/c1-13(2,3)17(4,5)16-10-6-8-15-9-7-12(14)11-15/h12H,6-11H2,1-5H3/t12-/m1/s1
InChIKeyZYXQXBGOCBZUSD-GFCCVEGCSA-N
MW261.46 g/mol
LogP3.44
Rot. Bonds5

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

tert-butyl-[3-[(3R)-3-fluoropyrrolidin-1-yl]propoxy]-dimethylsilane (PubChem CID 90288475) has the molecular formula C13H28FNOSi and a molecular weight of 261.46 g/mol. Its IUPAC name is tert-butyl-[3-[(3R)-3-fluoropyrrolidin-1-yl]propoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-[(3R)-3-fluoropyrrolidin-1-yl]propoxy]-dimethylsilane
PubChem CID90288475
Molecular FormulaC13H28FNOSi
Molecular Weight261.46 g/mol
Exact Mass261.19
IUPAC Nametert-butyl-[3-[(3R)-3-fluoropyrrolidin-1-yl]propoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCN1CC[C@@H](F)C1
InChIInChI=1S/C13H28FNOSi/c1-13(2,3)17(4,5)16-10-6-8-15-9-7-12(14)11-15/h12H,6-11H2,1-5H3/t12-/m1/s1
InChIKeyZYXQXBGOCBZUSD-GFCCVEGCSA-N
XLogP3.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.46
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-[(3R)-3-fluoropyrrolidin-1-yl]propoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[3-[(3R)-3-fluoropyrrolidin-1-yl]propoxy]-dimethylsilane (CID 90288475) is tert-butyl-[3-[(3R)-3-fluoropyrrolidin-1-yl]propoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-[(3R)-3-fluoropyrrolidin-1-yl]propoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-[(3R)-3-fluoropyrrolidin-1-yl]propoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCCN1CC[C@@H](F)C1.
What is the InChIKey of tert-butyl-[3-[(3R)-3-fluoropyrrolidin-1-yl]propoxy]-dimethylsilane?
The InChIKey is ZYXQXBGOCBZUSD-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H28FNOSi/c1-13(2,3)17(4,5)16-10-6-8-15-9-7-12(14)11-15/h12H,6-11H2,1-5H3/t12-/m1/s1.
What are the key properties of tert-butyl-[3-[(3R)-3-fluoropyrrolidin-1-yl]propoxy]-dimethylsilane?
tert-butyl-[3-[(3R)-3-fluoropyrrolidin-1-yl]propoxy]-dimethylsilane has a molecular weight of 261.46 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-[(3R)-3-fluoropyrrolidin-1-yl]propoxy]-dimethylsilane is sourced from PubChem (CID 90288475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).