tert-butyl-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]-dimethylsilane

C18H25FN2O2Si — CID 90075647

IUPACtert-butyl-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]-dimethylsilane
SMILESCc1ncc(COc2cc(F)cc(O[Si](C)(C)C(C)(C)C)c2)cn1
InChIInChI=1S/C18H25FN2O2Si/c1-13-20-10-14(11-21-13)12-22-16-7-15(19)8-17(9-16)23-24(5,6)18(2,3)4/h7-11H,12H2,1-6H3
InChIKeyKCASAQFYPYKKPY-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.89
Rot. Bonds5

About tert-butyl-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]-dimethylsilane

tert-butyl-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]-dimethylsilane (PubChem CID 90075647) has the molecular formula C18H25FN2O2Si and a molecular weight of 348.49 g/mol. Its IUPAC name is tert-butyl-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]-dimethylsilane
PubChem CID90075647
Molecular FormulaC18H25FN2O2Si
Molecular Weight348.49 g/mol
Exact Mass348.17
IUPAC Nametert-butyl-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]-dimethylsilane
SMILESCc1ncc(COc2cc(F)cc(O[Si](C)(C)C(C)(C)C)c2)cn1
InChIInChI=1S/C18H25FN2O2Si/c1-13-20-10-14(11-21-13)12-22-16-7-15(19)8-17(9-16)23-24(5,6)18(2,3)4/h7-11H,12H2,1-6H3
InChIKeyKCASAQFYPYKKPY-UHFFFAOYSA-N
XLogP4.89
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.89
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-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]-dimethylsilane (CID 90075647) is tert-butyl-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]-dimethylsilane is Cc1ncc(COc2cc(F)cc(O[Si](C)(C)C(C)(C)C)c2)cn1.
What is the InChIKey of tert-butyl-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]-dimethylsilane?
The InChIKey is KCASAQFYPYKKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2Si/c1-13-20-10-14(11-21-13)12-22-16-7-15(19)8-17(9-16)23-24(5,6)18(2,3)4/h7-11H,12H2,1-6H3.
What are the key properties of tert-butyl-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]-dimethylsilane?
tert-butyl-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]-dimethylsilane has a molecular weight of 348.49 g/mol, XLogP of 4.89, 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-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]-dimethylsilane is sourced from PubChem (CID 90075647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).