(4-fluoro-3-trimethylsilylphenyl)boronic acid

C9H14BFO2Si — CID 102049679

IUPAC(4-fluoro-3-trimethylsilylphenyl)boronic acid
SMILESC[Si](C)(C)c1cc(B(O)O)ccc1F
InChIInChI=1S/C9H14BFO2Si/c1-14(2,3)9-6-7(10(12)13)4-5-8(9)11/h4-6,12-13H,1-3H3
InChIKeyJORMTYVYYYSBDH-UHFFFAOYSA-N
MW212.11 g/mol
LogP0.05
Rot. Bonds2

About (4-fluoro-3-trimethylsilylphenyl)boronic acid

(4-fluoro-3-trimethylsilylphenyl)boronic acid (PubChem CID 102049679) has the molecular formula C9H14BFO2Si and a molecular weight of 212.11 g/mol. Its IUPAC name is (4-fluoro-3-trimethylsilylphenyl)boronic acid.

Molecular Properties

Compound Name(4-fluoro-3-trimethylsilylphenyl)boronic acid
PubChem CID102049679
Molecular FormulaC9H14BFO2Si
Molecular Weight212.11 g/mol
Exact Mass212.08
IUPAC Name(4-fluoro-3-trimethylsilylphenyl)boronic acid
SMILESC[Si](C)(C)c1cc(B(O)O)ccc1F
InChIInChI=1S/C9H14BFO2Si/c1-14(2,3)9-6-7(10(12)13)4-5-8(9)11/h4-6,12-13H,1-3H3
InChIKeyJORMTYVYYYSBDH-UHFFFAOYSA-N
XLogP0.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.11
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-fluoro-3-trimethylsilylphenyl)boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-trimethylsilylphenyl)boronic acid?
The IUPAC name of (4-fluoro-3-trimethylsilylphenyl)boronic acid (CID 102049679) is (4-fluoro-3-trimethylsilylphenyl)boronic acid.
What is the SMILES notation for (4-fluoro-3-trimethylsilylphenyl)boronic acid?
The canonical SMILES for (4-fluoro-3-trimethylsilylphenyl)boronic acid is C[Si](C)(C)c1cc(B(O)O)ccc1F.
What is the InChIKey of (4-fluoro-3-trimethylsilylphenyl)boronic acid?
The InChIKey is JORMTYVYYYSBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BFO2Si/c1-14(2,3)9-6-7(10(12)13)4-5-8(9)11/h4-6,12-13H,1-3H3.
What are the key properties of (4-fluoro-3-trimethylsilylphenyl)boronic acid?
(4-fluoro-3-trimethylsilylphenyl)boronic acid has a molecular weight of 212.11 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-trimethylsilylphenyl)boronic acid is sourced from PubChem (CID 102049679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).