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

C12H20BFO3Si — CID 53216501

IUPAC[3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenyl]boronic acid
SMILESCC(C)(C)[Si](C)(C)Oc1cccc(B(O)O)c1F
InChIInChI=1S/C12H20BFO3Si/c1-12(2,3)18(4,5)17-10-8-6-7-9(11(10)14)13(15)16/h6-8,15-16H,1-5H3
InChIKeyLARMLYKSRWOEDJ-UHFFFAOYSA-N
MW270.19 g/mol
LogP1.89
Rot. Bonds3

About [3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenyl]boronic acid

[3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenyl]boronic acid (PubChem CID 53216501) has the molecular formula C12H20BFO3Si and a molecular weight of 270.19 g/mol. Its IUPAC name is [3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenyl]boronic acid.

Molecular Properties

Compound Name[3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenyl]boronic acid
PubChem CID53216501
Molecular FormulaC12H20BFO3Si
Molecular Weight270.19 g/mol
Exact Mass270.13
IUPAC Name[3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenyl]boronic acid
SMILESCC(C)(C)[Si](C)(C)Oc1cccc(B(O)O)c1F
InChIInChI=1S/C12H20BFO3Si/c1-12(2,3)18(4,5)17-10-8-6-7-9(11(10)14)13(15)16/h6-8,15-16H,1-5H3
InChIKeyLARMLYKSRWOEDJ-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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Frequently Asked Questions

What is the IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenyl]boronic acid?
The IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenyl]boronic acid (CID 53216501) is [3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenyl]boronic acid.
What is the SMILES notation for [3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenyl]boronic acid?
The canonical SMILES for [3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenyl]boronic acid is CC(C)(C)[Si](C)(C)Oc1cccc(B(O)O)c1F.
What is the InChIKey of [3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenyl]boronic acid?
The InChIKey is LARMLYKSRWOEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BFO3Si/c1-12(2,3)18(4,5)17-10-8-6-7-9(11(10)14)13(15)16/h6-8,15-16H,1-5H3.
What are the key properties of [3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenyl]boronic acid?
[3-[tert-butyl(dimethyl)silyl]oxy-2-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 [3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenyl]boronic acid is sourced from PubChem (CID 53216501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).