(4-tert-butyl-3-fluorophenyl)boronic acid

C10H14BFO2 — CID 140655563

IUPAC(4-tert-butyl-3-fluorophenyl)boronic acid
SMILESCC(C)(C)c1ccc(B(O)O)cc1F
InChIInChI=1S/C10H14BFO2/c1-10(2,3)8-5-4-7(11(13)14)6-9(8)12/h4-6,13-14H,1-3H3
InChIKeyFQKCRZPLMXDKQN-UHFFFAOYSA-N
MW196.03 g/mol
LogP0.80
Rot. Bonds1

About (4-tert-butyl-3-fluorophenyl)boronic acid

(4-tert-butyl-3-fluorophenyl)boronic acid (PubChem CID 140655563) has the molecular formula C10H14BFO2 and a molecular weight of 196.03 g/mol. Its IUPAC name is (4-tert-butyl-3-fluorophenyl)boronic acid.

Molecular Properties

Compound Name(4-tert-butyl-3-fluorophenyl)boronic acid
PubChem CID140655563
Molecular FormulaC10H14BFO2
Molecular Weight196.03 g/mol
Exact Mass196.11
IUPAC Name(4-tert-butyl-3-fluorophenyl)boronic acid
SMILESCC(C)(C)c1ccc(B(O)O)cc1F
InChIInChI=1S/C10H14BFO2/c1-10(2,3)8-5-4-7(11(13)14)6-9(8)12/h4-6,13-14H,1-3H3
InChIKeyFQKCRZPLMXDKQN-UHFFFAOYSA-N
XLogP0.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.03
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-tert-butyl-3-fluorophenyl)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-tert-butyl-3-fluorophenyl)boronic acid?
The IUPAC name of (4-tert-butyl-3-fluorophenyl)boronic acid (CID 140655563) is (4-tert-butyl-3-fluorophenyl)boronic acid.
What is the SMILES notation for (4-tert-butyl-3-fluorophenyl)boronic acid?
The canonical SMILES for (4-tert-butyl-3-fluorophenyl)boronic acid is CC(C)(C)c1ccc(B(O)O)cc1F.
What is the InChIKey of (4-tert-butyl-3-fluorophenyl)boronic acid?
The InChIKey is FQKCRZPLMXDKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BFO2/c1-10(2,3)8-5-4-7(11(13)14)6-9(8)12/h4-6,13-14H,1-3H3.
What are the key properties of (4-tert-butyl-3-fluorophenyl)boronic acid?
(4-tert-butyl-3-fluorophenyl)boronic acid has a molecular weight of 196.03 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-3-fluorophenyl)boronic acid is sourced from PubChem (CID 140655563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).