tert-butyl-[2,2-difluoro-2-(3-fluoro-2-pyridinyl)ethoxy]-dimethylsilane

C13H20F3NOSi — CID 162684753

IUPACtert-butyl-[2,2-difluoro-2-(3-fluoro-2-pyridinyl)ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC(F)(F)c1ncccc1F
InChIInChI=1S/C13H20F3NOSi/c1-12(2,3)19(4,5)18-9-13(15,16)11-10(14)7-6-8-17-11/h6-8H,9H2,1-5H3
InChIKeyRRTVMUXHYGDXGK-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.33
Rot. Bonds4

About tert-butyl-[2,2-difluoro-2-(3-fluoro-2-pyridinyl)ethoxy]-dimethylsilane

tert-butyl-[2,2-difluoro-2-(3-fluoro-2-pyridinyl)ethoxy]-dimethylsilane (PubChem CID 162684753) has the molecular formula C13H20F3NOSi and a molecular weight of 291.39 g/mol. Its IUPAC name is tert-butyl-[2,2-difluoro-2-(3-fluoro-2-pyridinyl)ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2,2-difluoro-2-(3-fluoro-2-pyridinyl)ethoxy]-dimethylsilane
PubChem CID162684753
Molecular FormulaC13H20F3NOSi
Molecular Weight291.39 g/mol
Exact Mass291.13
IUPAC Nametert-butyl-[2,2-difluoro-2-(3-fluoro-2-pyridinyl)ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC(F)(F)c1ncccc1F
InChIInChI=1S/C13H20F3NOSi/c1-12(2,3)19(4,5)18-9-13(15,16)11-10(14)7-6-8-17-11/h6-8H,9H2,1-5H3
InChIKeyRRTVMUXHYGDXGK-UHFFFAOYSA-N
XLogP4.33
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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[2-(3-fluoro-2-pyridinyl)-4-methylpentan-2-yl]phosphane
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tert-butyl-[2-(6-fluoro-3-pyridinyl)-2-methylpropoxy]-dimethylsilane
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3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-thiophen-3-ylpropan-1-ol
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2-(2-bromo-6-fluorophenoxy)ethoxy-tert-butyl-dimethylsilane
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2,2-difluoro-2-(3-fluoro-2-pyridinyl)ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2,2-difluoro-2-(3-fluoro-2-pyridinyl)ethoxy]-dimethylsilane (CID 162684753) is tert-butyl-[2,2-difluoro-2-(3-fluoro-2-pyridinyl)ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2,2-difluoro-2-(3-fluoro-2-pyridinyl)ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2,2-difluoro-2-(3-fluoro-2-pyridinyl)ethoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCC(F)(F)c1ncccc1F.
What is the InChIKey of tert-butyl-[2,2-difluoro-2-(3-fluoro-2-pyridinyl)ethoxy]-dimethylsilane?
The InChIKey is RRTVMUXHYGDXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NOSi/c1-12(2,3)19(4,5)18-9-13(15,16)11-10(14)7-6-8-17-11/h6-8H,9H2,1-5H3.
What are the key properties of tert-butyl-[2,2-difluoro-2-(3-fluoro-2-pyridinyl)ethoxy]-dimethylsilane?
tert-butyl-[2,2-difluoro-2-(3-fluoro-2-pyridinyl)ethoxy]-dimethylsilane has a molecular weight of 291.39 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2,2-difluoro-2-(3-fluoro-2-pyridinyl)ethoxy]-dimethylsilane is sourced from PubChem (CID 162684753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).