[2-[tert-butyl(dimethyl)silyl]oxy-5-fluorophenyl]boronic acid

C12H20BFO3Si — CID 167729414

IUPAC[2-[tert-butyl(dimethyl)silyl]oxy-5-fluorophenyl]boronic acid
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(F)cc1B(O)O
InChIInChI=1S/C12H20BFO3Si/c1-12(2,3)18(4,5)17-11-7-6-9(14)8-10(11)13(15)16/h6-8,15-16H,1-5H3
InChIKeyZRXRMKHJMZPTIF-UHFFFAOYSA-N
MW270.19 g/mol
LogP1.89
Rot. Bonds3

About [2-[tert-butyl(dimethyl)silyl]oxy-5-fluorophenyl]boronic acid

[2-[tert-butyl(dimethyl)silyl]oxy-5-fluorophenyl]boronic acid (PubChem CID 167729414) has the molecular formula C12H20BFO3Si and a molecular weight of 270.19 g/mol. Its IUPAC name is [2-[tert-butyl(dimethyl)silyl]oxy-5-fluorophenyl]boronic acid.

Molecular Properties

Compound Name[2-[tert-butyl(dimethyl)silyl]oxy-5-fluorophenyl]boronic acid
PubChem CID167729414
Molecular FormulaC12H20BFO3Si
Molecular Weight270.19 g/mol
Exact Mass270.13
IUPAC Name[2-[tert-butyl(dimethyl)silyl]oxy-5-fluorophenyl]boronic acid
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(F)cc1B(O)O
InChIInChI=1S/C12H20BFO3Si/c1-12(2,3)18(4,5)17-11-7-6-9(14)8-10(11)13(15)16/h6-8,15-16H,1-5H3
InChIKeyZRXRMKHJMZPTIF-UHFFFAOYSA-N
XLogP1.89
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-(2,4-difluorophenoxy)-dimethylsilane
CID 14811687
[3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenyl]boronic acid
CID 53216501
[3-[tert-butyl(dimethyl)silyl]oxy-6-chloro-2-fluorophenyl]boronic acid
CID 171338487
tert-butyl-dimethyl-[4,5,8-tris[[tert-butyl(dimethyl)silyl]oxy]naphthalen-1-yl]oxysilane
CID 10604266
tert-butyl-dimethyl-(2,3,4-trifluorophenoxy)silane
CID 91697441
[2-[tert-butyl(dimethyl)silyl]oxy-4-ethoxyphenyl]boronic acid
CID 131845103
[2-[(E)-but-2-enoxy]-5-fluorophenyl]boronic acid
CID 43145388
2-[tert-butyl(dimethyl)silyl]oxyphenol
CID 10878826
(2-tert-butyl-5-fluorophenyl)boronic acid
CID 174006795
tert-butyl-(2,3-difluorophenoxy)-dimethylsilane
CID 68643642
[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-(3-fluorophenyl)methanol
CID 23553299
[5-fluoro-2-(2-hydroxypropan-2-yl)phenyl]boronic acid
CID 55265948

Frequently Asked Questions

What is the IUPAC name of [2-[tert-butyl(dimethyl)silyl]oxy-5-fluorophenyl]boronic acid?
The IUPAC name of [2-[tert-butyl(dimethyl)silyl]oxy-5-fluorophenyl]boronic acid (CID 167729414) is [2-[tert-butyl(dimethyl)silyl]oxy-5-fluorophenyl]boronic acid.
What is the SMILES notation for [2-[tert-butyl(dimethyl)silyl]oxy-5-fluorophenyl]boronic acid?
The canonical SMILES for [2-[tert-butyl(dimethyl)silyl]oxy-5-fluorophenyl]boronic acid is CC(C)(C)[Si](C)(C)Oc1ccc(F)cc1B(O)O.
What is the InChIKey of [2-[tert-butyl(dimethyl)silyl]oxy-5-fluorophenyl]boronic acid?
The InChIKey is ZRXRMKHJMZPTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BFO3Si/c1-12(2,3)18(4,5)17-11-7-6-9(14)8-10(11)13(15)16/h6-8,15-16H,1-5H3.
What are the key properties of [2-[tert-butyl(dimethyl)silyl]oxy-5-fluorophenyl]boronic acid?
[2-[tert-butyl(dimethyl)silyl]oxy-5-fluorophenyl]boronic acid has a molecular weight of 270.19 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[tert-butyl(dimethyl)silyl]oxy-5-fluorophenyl]boronic acid is sourced from PubChem (CID 167729414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).