tert-butyl-[[6-(difluoromethyl)-2-pyridinyl]methoxy]-dimethylsilane

C13H21F2NOSi — CID 163224448

IUPACtert-butyl-[[6-(difluoromethyl)-2-pyridinyl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cccc(C(F)F)n1
InChIInChI=1S/C13H21F2NOSi/c1-13(2,3)18(4,5)17-9-10-7-6-8-11(16-10)12(14)15/h6-8,12H,9H2,1-5H3
InChIKeyAWWDIMXSNMPZRK-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.54
Rot. Bonds4

About tert-butyl-[[6-(difluoromethyl)-2-pyridinyl]methoxy]-dimethylsilane

tert-butyl-[[6-(difluoromethyl)-2-pyridinyl]methoxy]-dimethylsilane (PubChem CID 163224448) has the molecular formula C13H21F2NOSi and a molecular weight of 273.40 g/mol. Its IUPAC name is tert-butyl-[[6-(difluoromethyl)-2-pyridinyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[6-(difluoromethyl)-2-pyridinyl]methoxy]-dimethylsilane
PubChem CID163224448
Molecular FormulaC13H21F2NOSi
Molecular Weight273.40 g/mol
Exact Mass273.14
IUPAC Nametert-butyl-[[6-(difluoromethyl)-2-pyridinyl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cccc(C(F)F)n1
InChIInChI=1S/C13H21F2NOSi/c1-13(2,3)18(4,5)17-9-10-7-6-8-11(16-10)12(14)15/h6-8,12H,9H2,1-5H3
InChIKeyAWWDIMXSNMPZRK-UHFFFAOYSA-N
XLogP4.54
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.54
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-[[6-(difluoromethyl)-2-pyridinyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[6-(difluoromethyl)-2-pyridinyl]methoxy]-dimethylsilane (CID 163224448) is tert-butyl-[[6-(difluoromethyl)-2-pyridinyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[6-(difluoromethyl)-2-pyridinyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[6-(difluoromethyl)-2-pyridinyl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1cccc(C(F)F)n1.
What is the InChIKey of tert-butyl-[[6-(difluoromethyl)-2-pyridinyl]methoxy]-dimethylsilane?
The InChIKey is AWWDIMXSNMPZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NOSi/c1-13(2,3)18(4,5)17-9-10-7-6-8-11(16-10)12(14)15/h6-8,12H,9H2,1-5H3.
What are the key properties of tert-butyl-[[6-(difluoromethyl)-2-pyridinyl]methoxy]-dimethylsilane?
tert-butyl-[[6-(difluoromethyl)-2-pyridinyl]methoxy]-dimethylsilane has a molecular weight of 273.40 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[6-(difluoromethyl)-2-pyridinyl]methoxy]-dimethylsilane is sourced from PubChem (CID 163224448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).