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

C12H9BF2O2 — CID 141415338

IUPAC[4-(2,3-difluorophenyl)phenyl]boronic acid
SMILESOB(O)c1ccc(-c2cccc(F)c2F)cc1
InChIInChI=1S/C12H9BF2O2/c14-11-3-1-2-10(12(11)15)8-4-6-9(7-5-8)13(16)17/h1-7,16-17H
InChIKeyBGYHOHCNMXMDED-UHFFFAOYSA-N
MW234.01 g/mol
LogP1.31
Rot. Bonds2

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

[4-(2,3-difluorophenyl)phenyl]boronic acid (PubChem CID 141415338) has the molecular formula C12H9BF2O2 and a molecular weight of 234.01 g/mol. Its IUPAC name is [4-(2,3-difluorophenyl)phenyl]boronic acid.

Molecular Properties

Compound Name[4-(2,3-difluorophenyl)phenyl]boronic acid
PubChem CID141415338
Molecular FormulaC12H9BF2O2
Molecular Weight234.01 g/mol
Exact Mass234.07
IUPAC Name[4-(2,3-difluorophenyl)phenyl]boronic acid
SMILESOB(O)c1ccc(-c2cccc(F)c2F)cc1
InChIInChI=1S/C12H9BF2O2/c14-11-3-1-2-10(12(11)15)8-4-6-9(7-5-8)13(16)17/h1-7,16-17H
InChIKeyBGYHOHCNMXMDED-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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Related Compounds

1,2-difluoro-3-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 118910762
1-[4-[2-[4-(2,3-difluorophenyl)phenyl]ethyl]phenyl]-2,3-difluorobenzene
CID 145190547
4-(2,3-difluorophenyl)benzamide
CID 18626229
1,2-difluoro-3-(4-methoxyphenyl)benzene
CID 59532996
5-(2,3-difluorophenyl)-2-fluoropyridine
CID 133088992
[4-(2,3-difluorophenoxy)phenyl]boronic acid
CID 140785253
[3-(2,3,4-trifluorophenyl)phenyl]boronic acid
CID 67170317
1,2-difluoro-3-(2-fluorophenyl)benzene;methanol
CID 70977056
[4-[2-(trifluoromethyl)phenyl]phenyl]boronic acid
CID 175107537
1,2-difluoro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 118854668
1-(2,6-difluorophenyl)-2,3-difluorobenzene
CID 91080743
[4-(2,3-difluorophenyl)phenyl] formate
CID 126522814

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-difluorophenyl)phenyl]boronic acid?
The IUPAC name of [4-(2,3-difluorophenyl)phenyl]boronic acid (CID 141415338) is [4-(2,3-difluorophenyl)phenyl]boronic acid.
What is the SMILES notation for [4-(2,3-difluorophenyl)phenyl]boronic acid?
The canonical SMILES for [4-(2,3-difluorophenyl)phenyl]boronic acid is OB(O)c1ccc(-c2cccc(F)c2F)cc1.
What is the InChIKey of [4-(2,3-difluorophenyl)phenyl]boronic acid?
The InChIKey is BGYHOHCNMXMDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BF2O2/c14-11-3-1-2-10(12(11)15)8-4-6-9(7-5-8)13(16)17/h1-7,16-17H.
What are the key properties of [4-(2,3-difluorophenyl)phenyl]boronic acid?
[4-(2,3-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 [4-(2,3-difluorophenyl)phenyl]boronic acid is sourced from PubChem (CID 141415338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).