3-[tert-butyl(dimethyl)silyl]oxy-4-fluorobenzonitrile

C13H18FNOSi — CID 167718613

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-4-fluorobenzonitrile
SMILESCC(C)(C)[Si](C)(C)Oc1cc(C#N)ccc1F
InChIInChI=1S/C13H18FNOSi/c1-13(2,3)17(4,5)16-12-8-10(9-15)6-7-11(12)14/h6-8H,1-5H3
InChIKeyOMWYYHVEMKTAMT-UHFFFAOYSA-N
MW251.38 g/mol
LogP4.08
Rot. Bonds2

About 3-[tert-butyl(dimethyl)silyl]oxy-4-fluorobenzonitrile

3-[tert-butyl(dimethyl)silyl]oxy-4-fluorobenzonitrile (PubChem CID 167718613) has the molecular formula C13H18FNOSi and a molecular weight of 251.38 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-4-fluorobenzonitrile.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-4-fluorobenzonitrile
PubChem CID167718613
Molecular FormulaC13H18FNOSi
Molecular Weight251.38 g/mol
Exact Mass251.11
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-4-fluorobenzonitrile
SMILESCC(C)(C)[Si](C)(C)Oc1cc(C#N)ccc1F
InChIInChI=1S/C13H18FNOSi/c1-13(2,3)17(4,5)16-12-8-10(9-15)6-7-11(12)14/h6-8H,1-5H3
InChIKeyOMWYYHVEMKTAMT-UHFFFAOYSA-N
XLogP4.08
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-[tert-butyl(dimethyl)silyl]oxy-3-iodobenzonitrile
CID 167726448
tert-butyl-(2-fluoro-5-nitrophenoxy)-dimethylsilane
CID 125116243
tert-butyl-dimethyl-(2,3,4-trifluorophenoxy)silane
CID 91697441
tert-butyl-(2,3-difluorophenoxy)-dimethylsilane
CID 68643642
4-fluoro-3-methylbenzonitrile
CID 2779180
3-bromo-4-[tert-butyl(dimethyl)silyl]oxy-5-chlorobenzonitrile
CID 167723783
3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-formylbenzonitrile
CID 166136317
tert-butyl-dimethyl-[4,5,8-tris[[tert-butyl(dimethyl)silyl]oxy]naphthalen-1-yl]oxysilane
CID 10604266
tert-butyl-(5-chloro-2-methoxyphenoxy)-dimethylsilane
CID 125116719
3-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-1-(4-chlorophenyl)prop-2-yn-1-one
CID 169002331
3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzonitrile
CID 22050298
2-[[3-[[2-[tert-butyl(dimethyl)silyl]oxy-4-cyanophenyl]methyl]-2-pyridinyl]methyl]butanoic acid
CID 70120427

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-4-fluorobenzonitrile?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-4-fluorobenzonitrile (CID 167718613) is 3-[tert-butyl(dimethyl)silyl]oxy-4-fluorobenzonitrile.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-4-fluorobenzonitrile?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-4-fluorobenzonitrile is CC(C)(C)[Si](C)(C)Oc1cc(C#N)ccc1F.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-4-fluorobenzonitrile?
The InChIKey is OMWYYHVEMKTAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNOSi/c1-13(2,3)17(4,5)16-12-8-10(9-15)6-7-11(12)14/h6-8H,1-5H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-4-fluorobenzonitrile?
3-[tert-butyl(dimethyl)silyl]oxy-4-fluorobenzonitrile has a molecular weight of 251.38 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-4-fluorobenzonitrile is sourced from PubChem (CID 167718613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).