(2-fluorophenoxy)boronic acid

C6H6BFO3 — CID 22237831

IUPAC(2-fluorophenoxy)boronic acid
SMILESOB(O)Oc1ccccc1F
InChIInChI=1S/C6H6BFO3/c8-5-3-1-2-4-6(5)11-7(9)10/h1-4,9-10H
InChIKeyDWSBPCLAELVSFD-UHFFFAOYSA-N
MW155.92 g/mol
LogP0.17
Rot. Bonds2

About (2-fluorophenoxy)boronic acid

(2-fluorophenoxy)boronic acid (PubChem CID 22237831) has the molecular formula C6H6BFO3 and a molecular weight of 155.92 g/mol. Its IUPAC name is (2-fluorophenoxy)boronic acid.

Molecular Properties

Compound Name(2-fluorophenoxy)boronic acid
PubChem CID22237831
Molecular FormulaC6H6BFO3
Molecular Weight155.92 g/mol
Exact Mass156.04
IUPAC Name(2-fluorophenoxy)boronic acid
SMILESOB(O)Oc1ccccc1F
InChIInChI=1S/C6H6BFO3/c8-5-3-1-2-4-6(5)11-7(9)10/h1-4,9-10H
InChIKeyDWSBPCLAELVSFD-UHFFFAOYSA-N
XLogP0.17
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.92
LogP ≤ 50.17
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

(3-fluoro-2-formylphenoxy)boronic acid
CID 163404826
[2-(2,3,4,5,6-pentafluorophenyl)phenoxy]boronic acid
CID 158830184
1,2-bis[2-[2-(2-fluorophenoxy)phenoxy]phenoxy]benzene
CID 22338502
[3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]boronic acid
CID 142785528
(2-fluorophenyl) hypoiodite
CID 130349646
CID 175337896
CID 175337896
(2-fluorophenyl) 2-oxopropanoate
CID 54044054
(4-fluoro-2-methylphenoxy)boronic acid
CID 14579594
(3-fluoro-2-pyridinyl)oxyboronic acid
CID 142794049
4-(2-fluorophenoxy)butan-1-ol
CID 43509993
carbon dioxide;1-fluoro-2-methoxybenzene
CID 159972007
[2-hydroxy-3-(trifluoromethoxy)phenoxy]boronic acid
CID 172837844

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenoxy)boronic acid?
The IUPAC name of (2-fluorophenoxy)boronic acid (CID 22237831) is (2-fluorophenoxy)boronic acid.
What is the SMILES notation for (2-fluorophenoxy)boronic acid?
The canonical SMILES for (2-fluorophenoxy)boronic acid is OB(O)Oc1ccccc1F.
What is the InChIKey of (2-fluorophenoxy)boronic acid?
The InChIKey is DWSBPCLAELVSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BFO3/c8-5-3-1-2-4-6(5)11-7(9)10/h1-4,9-10H.
What are the key properties of (2-fluorophenoxy)boronic acid?
(2-fluorophenoxy)boronic acid has a molecular weight of 155.92 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenoxy)boronic acid is sourced from PubChem (CID 22237831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).