tert-butyl-[2-(3-fluorophenyl)pyrrolidin-1-yl]oxy-dimethylsilane

C16H26FNOSi — CID 68606891

IUPACtert-butyl-[2-(3-fluorophenyl)pyrrolidin-1-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)ON1CCCC1c1cccc(F)c1
InChIInChI=1S/C16H26FNOSi/c1-16(2,3)20(4,5)19-18-11-7-10-15(18)13-8-6-9-14(17)12-13/h6,8-9,12,15H,7,10-11H2,1-5H3
InChIKeyILEMLCBOJVIVRO-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.90
Rot. Bonds3

About tert-butyl-[2-(3-fluorophenyl)pyrrolidin-1-yl]oxy-dimethylsilane

tert-butyl-[2-(3-fluorophenyl)pyrrolidin-1-yl]oxy-dimethylsilane (PubChem CID 68606891) has the molecular formula C16H26FNOSi and a molecular weight of 295.47 g/mol. Its IUPAC name is tert-butyl-[2-(3-fluorophenyl)pyrrolidin-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-(3-fluorophenyl)pyrrolidin-1-yl]oxy-dimethylsilane
PubChem CID68606891
Molecular FormulaC16H26FNOSi
Molecular Weight295.47 g/mol
Exact Mass295.18
IUPAC Nametert-butyl-[2-(3-fluorophenyl)pyrrolidin-1-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)ON1CCCC1c1cccc(F)c1
InChIInChI=1S/C16H26FNOSi/c1-16(2,3)20(4,5)19-18-11-7-10-15(18)13-8-6-9-14(17)12-13/h6,8-9,12,15H,7,10-11H2,1-5H3
InChIKeyILEMLCBOJVIVRO-UHFFFAOYSA-N
XLogP4.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.90
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-(3-fluorophenyl)pyrrolidin-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[2-(3-fluorophenyl)pyrrolidin-1-yl]oxy-dimethylsilane (CID 68606891) is tert-butyl-[2-(3-fluorophenyl)pyrrolidin-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-(3-fluorophenyl)pyrrolidin-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[2-(3-fluorophenyl)pyrrolidin-1-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)ON1CCCC1c1cccc(F)c1.
What is the InChIKey of tert-butyl-[2-(3-fluorophenyl)pyrrolidin-1-yl]oxy-dimethylsilane?
The InChIKey is ILEMLCBOJVIVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNOSi/c1-16(2,3)20(4,5)19-18-11-7-10-15(18)13-8-6-9-14(17)12-13/h6,8-9,12,15H,7,10-11H2,1-5H3.
What are the key properties of tert-butyl-[2-(3-fluorophenyl)pyrrolidin-1-yl]oxy-dimethylsilane?
tert-butyl-[2-(3-fluorophenyl)pyrrolidin-1-yl]oxy-dimethylsilane has a molecular weight of 295.47 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(3-fluorophenyl)pyrrolidin-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 68606891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).