[2-(4-bromo-2-pyridinyl)-1-fluoropropan-2-yl]oxy-tert-butyl-dimethylsilane

C14H23BrFNOSi — CID 171478622

IUPAC[2-(4-bromo-2-pyridinyl)-1-fluoropropan-2-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(CF)(O[Si](C)(C)C(C)(C)C)c1cc(Br)ccn1
InChIInChI=1S/C14H23BrFNOSi/c1-13(2,3)19(5,6)18-14(4,10-16)12-9-11(15)7-8-17-12/h7-9H,10H2,1-6H3
InChIKeyMRLKATSRFOTNOG-UHFFFAOYSA-N
MW348.33 g/mol
LogP5.05
Rot. Bonds4

About [2-(4-bromo-2-pyridinyl)-1-fluoropropan-2-yl]oxy-tert-butyl-dimethylsilane

[2-(4-bromo-2-pyridinyl)-1-fluoropropan-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 171478622) has the molecular formula C14H23BrFNOSi and a molecular weight of 348.33 g/mol. Its IUPAC name is [2-(4-bromo-2-pyridinyl)-1-fluoropropan-2-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[2-(4-bromo-2-pyridinyl)-1-fluoropropan-2-yl]oxy-tert-butyl-dimethylsilane
PubChem CID171478622
Molecular FormulaC14H23BrFNOSi
Molecular Weight348.33 g/mol
Exact Mass347.07
IUPAC Name[2-(4-bromo-2-pyridinyl)-1-fluoropropan-2-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(CF)(O[Si](C)(C)C(C)(C)C)c1cc(Br)ccn1
InChIInChI=1S/C14H23BrFNOSi/c1-13(2,3)19(5,6)18-14(4,10-16)12-9-11(15)7-8-17-12/h7-9H,10H2,1-6H3
InChIKeyMRLKATSRFOTNOG-UHFFFAOYSA-N
XLogP5.05
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.33
LogP ≤ 55.05
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-(4-bromo-2-pyridinyl)-1-fluoropropan-2-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [2-(4-bromo-2-pyridinyl)-1-fluoropropan-2-yl]oxy-tert-butyl-dimethylsilane (CID 171478622) is [2-(4-bromo-2-pyridinyl)-1-fluoropropan-2-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [2-(4-bromo-2-pyridinyl)-1-fluoropropan-2-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [2-(4-bromo-2-pyridinyl)-1-fluoropropan-2-yl]oxy-tert-butyl-dimethylsilane is CC(CF)(O[Si](C)(C)C(C)(C)C)c1cc(Br)ccn1.
What is the InChIKey of [2-(4-bromo-2-pyridinyl)-1-fluoropropan-2-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is MRLKATSRFOTNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrFNOSi/c1-13(2,3)19(5,6)18-14(4,10-16)12-9-11(15)7-8-17-12/h7-9H,10H2,1-6H3.
What are the key properties of [2-(4-bromo-2-pyridinyl)-1-fluoropropan-2-yl]oxy-tert-butyl-dimethylsilane?
[2-(4-bromo-2-pyridinyl)-1-fluoropropan-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 348.33 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-2-pyridinyl)-1-fluoropropan-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 171478622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).