tert-butyl-[3-fluoro-5-(pyrimidin-5-ylmethoxy)phenoxy]-dimethylsilane

C17H23FN2O2Si — CID 90075764

IUPACtert-butyl-[3-fluoro-5-(pyrimidin-5-ylmethoxy)phenoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1cc(F)cc(OCc2cncnc2)c1
InChIInChI=1S/C17H23FN2O2Si/c1-17(2,3)23(4,5)22-16-7-14(18)6-15(8-16)21-11-13-9-19-12-20-10-13/h6-10,12H,11H2,1-5H3
InChIKeyRPIQAGXBZGMGGO-UHFFFAOYSA-N
MW334.47 g/mol
LogP4.58
Rot. Bonds5

About tert-butyl-[3-fluoro-5-(pyrimidin-5-ylmethoxy)phenoxy]-dimethylsilane

tert-butyl-[3-fluoro-5-(pyrimidin-5-ylmethoxy)phenoxy]-dimethylsilane (PubChem CID 90075764) has the molecular formula C17H23FN2O2Si and a molecular weight of 334.47 g/mol. Its IUPAC name is tert-butyl-[3-fluoro-5-(pyrimidin-5-ylmethoxy)phenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-fluoro-5-(pyrimidin-5-ylmethoxy)phenoxy]-dimethylsilane
PubChem CID90075764
Molecular FormulaC17H23FN2O2Si
Molecular Weight334.47 g/mol
Exact Mass334.15
IUPAC Nametert-butyl-[3-fluoro-5-(pyrimidin-5-ylmethoxy)phenoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1cc(F)cc(OCc2cncnc2)c1
InChIInChI=1S/C17H23FN2O2Si/c1-17(2,3)23(4,5)22-16-7-14(18)6-15(8-16)21-11-13-9-19-12-20-10-13/h6-10,12H,11H2,1-5H3
InChIKeyRPIQAGXBZGMGGO-UHFFFAOYSA-N
XLogP4.58
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[3-fluoro-5-(pyrimidin-5-ylmethoxy)phenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[3-fluoro-5-(pyrimidin-5-ylmethoxy)phenoxy]-dimethylsilane (CID 90075764) is tert-butyl-[3-fluoro-5-(pyrimidin-5-ylmethoxy)phenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-fluoro-5-(pyrimidin-5-ylmethoxy)phenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-fluoro-5-(pyrimidin-5-ylmethoxy)phenoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1cc(F)cc(OCc2cncnc2)c1.
What is the InChIKey of tert-butyl-[3-fluoro-5-(pyrimidin-5-ylmethoxy)phenoxy]-dimethylsilane?
The InChIKey is RPIQAGXBZGMGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2Si/c1-17(2,3)23(4,5)22-16-7-14(18)6-15(8-16)21-11-13-9-19-12-20-10-13/h6-10,12H,11H2,1-5H3.
What are the key properties of tert-butyl-[3-fluoro-5-(pyrimidin-5-ylmethoxy)phenoxy]-dimethylsilane?
tert-butyl-[3-fluoro-5-(pyrimidin-5-ylmethoxy)phenoxy]-dimethylsilane has a molecular weight of 334.47 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-fluoro-5-(pyrimidin-5-ylmethoxy)phenoxy]-dimethylsilane is sourced from PubChem (CID 90075764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).