[4-(2,3-difluorophenoxy)phenyl]boronic acid

C12H9BF2O3 — CID 140785253

IUPAC[4-(2,3-difluorophenoxy)phenyl]boronic acid
SMILESOB(O)c1ccc(Oc2cccc(F)c2F)cc1
InChIInChI=1S/C12H9BF2O3/c14-10-2-1-3-11(12(10)15)18-9-6-4-8(5-7-9)13(16)17/h1-7,16-17H
InChIKeyBPMRZJNRSNJGSS-UHFFFAOYSA-N
MW250.01 g/mol
LogP1.44
Rot. Bonds3

About [4-(2,3-difluorophenoxy)phenyl]boronic acid

[4-(2,3-difluorophenoxy)phenyl]boronic acid (PubChem CID 140785253) has the molecular formula C12H9BF2O3 and a molecular weight of 250.01 g/mol. Its IUPAC name is [4-(2,3-difluorophenoxy)phenyl]boronic acid.

Molecular Properties

Compound Name[4-(2,3-difluorophenoxy)phenyl]boronic acid
PubChem CID140785253
Molecular FormulaC12H9BF2O3
Molecular Weight250.01 g/mol
Exact Mass250.06
IUPAC Name[4-(2,3-difluorophenoxy)phenyl]boronic acid
SMILESOB(O)c1ccc(Oc2cccc(F)c2F)cc1
InChIInChI=1S/C12H9BF2O3/c14-10-2-1-3-11(12(10)15)18-9-6-4-8(5-7-9)13(16)17/h1-7,16-17H
InChIKeyBPMRZJNRSNJGSS-UHFFFAOYSA-N
XLogP1.44
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.01
LogP ≤ 51.44
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

4-(2,3-difluorophenoxy)benzenecarbothioamide
CID 63038333
[4-(2,3-difluorophenyl)phenyl]boronic acid
CID 141415338
3-(2,3-difluorophenoxy)furan
CID 76539749
4-(2,3-difluorophenoxy)benzene-1,2-diamine
CID 106748465
1-[4-(2,3-difluorophenoxy)phenyl]propan-2-amine
CID 63802336
1-[4-(2,3-difluorophenoxy)phenyl]-N-methylethanamine
CID 63036952
1-[5-(2,3-difluorophenoxy)-2-pyridinyl]propan-1-ol
CID 112585589
4-(2,3-difluorophenoxy)-2-methylbenzaldehyde
CID 63038344
[4-(2-pyrrolidin-1-ylphenoxy)phenyl]boronic acid
CID 168512778
[3-[(2,3-difluorophenoxy)methyl]-5-fluorophenyl]boronic acid
CID 79706860
[3-(2,3-difluorophenoxy)-5-fluorophenyl]methanol
CID 106530200
1-[5-(2,3-difluorophenoxy)-2-pyridinyl]-N-methylethanamine
CID 83123940

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-difluorophenoxy)phenyl]boronic acid?
The IUPAC name of [4-(2,3-difluorophenoxy)phenyl]boronic acid (CID 140785253) is [4-(2,3-difluorophenoxy)phenyl]boronic acid.
What is the SMILES notation for [4-(2,3-difluorophenoxy)phenyl]boronic acid?
The canonical SMILES for [4-(2,3-difluorophenoxy)phenyl]boronic acid is OB(O)c1ccc(Oc2cccc(F)c2F)cc1.
What is the InChIKey of [4-(2,3-difluorophenoxy)phenyl]boronic acid?
The InChIKey is BPMRZJNRSNJGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BF2O3/c14-10-2-1-3-11(12(10)15)18-9-6-4-8(5-7-9)13(16)17/h1-7,16-17H.
What are the key properties of [4-(2,3-difluorophenoxy)phenyl]boronic acid?
[4-(2,3-difluorophenoxy)phenyl]boronic acid has a molecular weight of 250.01 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-difluorophenoxy)phenyl]boronic acid is sourced from PubChem (CID 140785253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).