tert-butyl-[3-(3,3-difluoropyrrolidin-1-yl)propoxy]-dimethylsilane

C13H27F2NOSi — CID 90288107

IUPACtert-butyl-[3-(3,3-difluoropyrrolidin-1-yl)propoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCN1CCC(F)(F)C1
InChIInChI=1S/C13H27F2NOSi/c1-12(2,3)18(4,5)17-10-6-8-16-9-7-13(14,15)11-16/h6-11H2,1-5H3
InChIKeyHYTMKSQUOXZVHC-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.74
Rot. Bonds5

About tert-butyl-[3-(3,3-difluoropyrrolidin-1-yl)propoxy]-dimethylsilane

tert-butyl-[3-(3,3-difluoropyrrolidin-1-yl)propoxy]-dimethylsilane (PubChem CID 90288107) has the molecular formula C13H27F2NOSi and a molecular weight of 279.45 g/mol. Its IUPAC name is tert-butyl-[3-(3,3-difluoropyrrolidin-1-yl)propoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-(3,3-difluoropyrrolidin-1-yl)propoxy]-dimethylsilane
PubChem CID90288107
Molecular FormulaC13H27F2NOSi
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Nametert-butyl-[3-(3,3-difluoropyrrolidin-1-yl)propoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCN1CCC(F)(F)C1
InChIInChI=1S/C13H27F2NOSi/c1-12(2,3)18(4,5)17-10-6-8-16-9-7-13(14,15)11-16/h6-11H2,1-5H3
InChIKeyHYTMKSQUOXZVHC-UHFFFAOYSA-N
XLogP3.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.74
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-(3,3-difluoropyrrolidin-1-yl)propoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[3-(3,3-difluoropyrrolidin-1-yl)propoxy]-dimethylsilane (CID 90288107) is tert-butyl-[3-(3,3-difluoropyrrolidin-1-yl)propoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-(3,3-difluoropyrrolidin-1-yl)propoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-(3,3-difluoropyrrolidin-1-yl)propoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCCN1CCC(F)(F)C1.
What is the InChIKey of tert-butyl-[3-(3,3-difluoropyrrolidin-1-yl)propoxy]-dimethylsilane?
The InChIKey is HYTMKSQUOXZVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27F2NOSi/c1-12(2,3)18(4,5)17-10-6-8-16-9-7-13(14,15)11-16/h6-11H2,1-5H3.
What are the key properties of tert-butyl-[3-(3,3-difluoropyrrolidin-1-yl)propoxy]-dimethylsilane?
tert-butyl-[3-(3,3-difluoropyrrolidin-1-yl)propoxy]-dimethylsilane has a molecular weight of 279.45 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-(3,3-difluoropyrrolidin-1-yl)propoxy]-dimethylsilane is sourced from PubChem (CID 90288107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).