[2-(5-bromo-2-pyridinyl)-2,2-difluoroethoxy]-tert-butyl-dimethylsilane

C13H20BrF2NOSi — CID 59769740

IUPAC[2-(5-bromo-2-pyridinyl)-2,2-difluoroethoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC(F)(F)c1ccc(Br)cn1
InChIInChI=1S/C13H20BrF2NOSi/c1-12(2,3)19(4,5)18-9-13(15,16)11-7-6-10(14)8-17-11/h6-8H,9H2,1-5H3
InChIKeyDGOUGQMUNFHQGN-UHFFFAOYSA-N
MW352.30 g/mol
LogP4.96
Rot. Bonds4

About [2-(5-bromo-2-pyridinyl)-2,2-difluoroethoxy]-tert-butyl-dimethylsilane

[2-(5-bromo-2-pyridinyl)-2,2-difluoroethoxy]-tert-butyl-dimethylsilane (PubChem CID 59769740) has the molecular formula C13H20BrF2NOSi and a molecular weight of 352.30 g/mol. Its IUPAC name is [2-(5-bromo-2-pyridinyl)-2,2-difluoroethoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[2-(5-bromo-2-pyridinyl)-2,2-difluoroethoxy]-tert-butyl-dimethylsilane
PubChem CID59769740
Molecular FormulaC13H20BrF2NOSi
Molecular Weight352.30 g/mol
Exact Mass351.05
IUPAC Name[2-(5-bromo-2-pyridinyl)-2,2-difluoroethoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC(F)(F)c1ccc(Br)cn1
InChIInChI=1S/C13H20BrF2NOSi/c1-12(2,3)19(4,5)18-9-13(15,16)11-7-6-10(14)8-17-11/h6-8H,9H2,1-5H3
InChIKeyDGOUGQMUNFHQGN-UHFFFAOYSA-N
XLogP4.96
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 54.96
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 [2-(5-bromo-2-pyridinyl)-2,2-difluoroethoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [2-(5-bromo-2-pyridinyl)-2,2-difluoroethoxy]-tert-butyl-dimethylsilane (CID 59769740) is [2-(5-bromo-2-pyridinyl)-2,2-difluoroethoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [2-(5-bromo-2-pyridinyl)-2,2-difluoroethoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [2-(5-bromo-2-pyridinyl)-2,2-difluoroethoxy]-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCC(F)(F)c1ccc(Br)cn1.
What is the InChIKey of [2-(5-bromo-2-pyridinyl)-2,2-difluoroethoxy]-tert-butyl-dimethylsilane?
The InChIKey is DGOUGQMUNFHQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrF2NOSi/c1-12(2,3)19(4,5)18-9-13(15,16)11-7-6-10(14)8-17-11/h6-8H,9H2,1-5H3.
What are the key properties of [2-(5-bromo-2-pyridinyl)-2,2-difluoroethoxy]-tert-butyl-dimethylsilane?
[2-(5-bromo-2-pyridinyl)-2,2-difluoroethoxy]-tert-butyl-dimethylsilane has a molecular weight of 352.30 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-2-pyridinyl)-2,2-difluoroethoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 59769740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).