[2-(3-fluorophenoxy)phenyl]boronic acid

C12H10BFO3 — CID 69091100

IUPAC[2-(3-fluorophenoxy)phenyl]boronic acid
SMILESOB(O)c1ccccc1Oc1cccc(F)c1
InChIInChI=1S/C12H10BFO3/c14-9-4-3-5-10(8-9)17-12-7-2-1-6-11(12)13(15)16/h1-8,15-16H
InChIKeyMXVIOTHEMHPDFM-UHFFFAOYSA-N
MW232.02 g/mol
LogP1.30
Rot. Bonds3

About [2-(3-fluorophenoxy)phenyl]boronic acid

[2-(3-fluorophenoxy)phenyl]boronic acid (PubChem CID 69091100) has the molecular formula C12H10BFO3 and a molecular weight of 232.02 g/mol. Its IUPAC name is [2-(3-fluorophenoxy)phenyl]boronic acid.

Molecular Properties

Compound Name[2-(3-fluorophenoxy)phenyl]boronic acid
PubChem CID69091100
Molecular FormulaC12H10BFO3
Molecular Weight232.02 g/mol
Exact Mass232.07
IUPAC Name[2-(3-fluorophenoxy)phenyl]boronic acid
SMILESOB(O)c1ccccc1Oc1cccc(F)c1
InChIInChI=1S/C12H10BFO3/c14-9-4-3-5-10(8-9)17-12-7-2-1-6-11(12)13(15)16/h1-8,15-16H
InChIKeyMXVIOTHEMHPDFM-UHFFFAOYSA-N
XLogP1.30
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.02
LogP ≤ 51.30
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

5-fluoro-2-(3-fluorophenoxy)benzaldehyde
CID 43313270
1,5-difluoro-2-(3-fluorophenoxy)-4-methylbenzene
CID 118973930
1-[2-fluoro-6-(3-fluorophenoxy)phenyl]ethanamine
CID 43189230
1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene
CID 22338391
[4-(3-fluorophenoxy)-2-nitrophenyl]boronic acid
CID 67451844
N-[[2-(3-fluorophenoxy)phenyl]methyl]propan-1-amine
CID 43283339
[2-(3-fluorophenoxy)-6-methylsulfanylphenyl]methanamine
CID 113385374
4-chloro-2-(3-fluorophenoxy)benzaldehyde
CID 58753975
methane;[2-(trifluoromethoxy)phenyl]boronic acid
CID 158262052
1-fluoro-3-(3-fluorophenoxy)-5-methylbenzene
CID 54548242
methyl 5-[[2-(3-fluorophenoxy)phenyl]carbamoyl]thiophene-2-carboxylate
CID 55982604
3-bromo-4-(3-fluorophenoxy)benzoic acid
CID 69417763

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenoxy)phenyl]boronic acid?
The IUPAC name of [2-(3-fluorophenoxy)phenyl]boronic acid (CID 69091100) is [2-(3-fluorophenoxy)phenyl]boronic acid.
What is the SMILES notation for [2-(3-fluorophenoxy)phenyl]boronic acid?
The canonical SMILES for [2-(3-fluorophenoxy)phenyl]boronic acid is OB(O)c1ccccc1Oc1cccc(F)c1.
What is the InChIKey of [2-(3-fluorophenoxy)phenyl]boronic acid?
The InChIKey is MXVIOTHEMHPDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BFO3/c14-9-4-3-5-10(8-9)17-12-7-2-1-6-11(12)13(15)16/h1-8,15-16H.
What are the key properties of [2-(3-fluorophenoxy)phenyl]boronic acid?
[2-(3-fluorophenoxy)phenyl]boronic acid has a molecular weight of 232.02 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenoxy)phenyl]boronic acid is sourced from PubChem (CID 69091100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).