[2-(2,4-difluorophenyl)phenyl]boronic acid

C12H9BF2O2 — CID 22288640

IUPAC[2-(2,4-difluorophenyl)phenyl]boronic acid
SMILESOB(O)c1ccccc1-c1ccc(F)cc1F
InChIInChI=1S/C12H9BF2O2/c14-8-5-6-10(12(15)7-8)9-3-1-2-4-11(9)13(16)17/h1-7,16-17H
InChIKeyQZHPHFKRMJSRKD-UHFFFAOYSA-N
MW234.01 g/mol
LogP1.31
Rot. Bonds2

About [2-(2,4-difluorophenyl)phenyl]boronic acid

[2-(2,4-difluorophenyl)phenyl]boronic acid (PubChem CID 22288640) has the molecular formula C12H9BF2O2 and a molecular weight of 234.01 g/mol. Its IUPAC name is [2-(2,4-difluorophenyl)phenyl]boronic acid.

Molecular Properties

Compound Name[2-(2,4-difluorophenyl)phenyl]boronic acid
PubChem CID22288640
Molecular FormulaC12H9BF2O2
Molecular Weight234.01 g/mol
Exact Mass234.07
IUPAC Name[2-(2,4-difluorophenyl)phenyl]boronic acid
SMILESOB(O)c1ccccc1-c1ccc(F)cc1F
InChIInChI=1S/C12H9BF2O2/c14-8-5-6-10(12(15)7-8)9-3-1-2-4-11(9)13(16)17/h1-7,16-17H
InChIKeyQZHPHFKRMJSRKD-UHFFFAOYSA-N
XLogP1.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.01
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 [2-(2,4-difluorophenyl)phenyl]boronic acid?
The IUPAC name of [2-(2,4-difluorophenyl)phenyl]boronic acid (CID 22288640) is [2-(2,4-difluorophenyl)phenyl]boronic acid.
What is the SMILES notation for [2-(2,4-difluorophenyl)phenyl]boronic acid?
The canonical SMILES for [2-(2,4-difluorophenyl)phenyl]boronic acid is OB(O)c1ccccc1-c1ccc(F)cc1F.
What is the InChIKey of [2-(2,4-difluorophenyl)phenyl]boronic acid?
The InChIKey is QZHPHFKRMJSRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BF2O2/c14-8-5-6-10(12(15)7-8)9-3-1-2-4-11(9)13(16)17/h1-7,16-17H.
What are the key properties of [2-(2,4-difluorophenyl)phenyl]boronic acid?
[2-(2,4-difluorophenyl)phenyl]boronic acid has a molecular weight of 234.01 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluorophenyl)phenyl]boronic acid is sourced from PubChem (CID 22288640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).