(4-fluoro-3-hydroxyphenoxy)boronic acid

C6H6BFO4 — CID 142798928

IUPAC(4-fluoro-3-hydroxyphenoxy)boronic acid
SMILESOB(O)Oc1ccc(F)c(O)c1
InChIInChI=1S/C6H6BFO4/c8-5-2-1-4(3-6(5)9)12-7(10)11/h1-3,9-11H
InChIKeyISAONZKVLXCOEU-UHFFFAOYSA-N
MW171.92 g/mol
LogP-0.12
Rot. Bonds2

About (4-fluoro-3-hydroxyphenoxy)boronic acid

(4-fluoro-3-hydroxyphenoxy)boronic acid (PubChem CID 142798928) has the molecular formula C6H6BFO4 and a molecular weight of 171.92 g/mol. Its IUPAC name is (4-fluoro-3-hydroxyphenoxy)boronic acid.

Molecular Properties

Compound Name(4-fluoro-3-hydroxyphenoxy)boronic acid
PubChem CID142798928
Molecular FormulaC6H6BFO4
Molecular Weight171.92 g/mol
Exact Mass172.03
IUPAC Name(4-fluoro-3-hydroxyphenoxy)boronic acid
SMILESOB(O)Oc1ccc(F)c(O)c1
InChIInChI=1S/C6H6BFO4/c8-5-2-1-4(3-6(5)9)12-7(10)11/h1-3,9-11H
InChIKeyISAONZKVLXCOEU-UHFFFAOYSA-N
XLogP-0.12
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.92
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

5-aminooxy-2-fluorophenol
CID 142901822
2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenol
CID 53219695
2-fluoro-5-(2-methoxyethoxy)phenol
CID 125116238
[4-(2-ethoxy-2-oxoethyl)-3-fluorophenoxy]boronic acid
CID 169224007
5-(azetidin-3-yloxy)-2-fluorophenol
CID 138753068
[3-[(4-chlorophenyl)methoxy]phenoxy]boronic acid
CID 142764738
2,3-dimethylbutane-2,3-diol;(4-fluorophenoxy)boronic acid
CID 175564646
4-boronooxyphthalic acid
CID 142763487
(2-bromo-4,5-difluorophenoxy)boronic acid
CID 142781250
(3,4-difluoro-5-methoxyphenoxy)boronic acid
CID 142794530
N,N-dibutylbutan-1-amine;(4-fluorophenoxy)boronic acid
CID 172735609
bis(N,N-dibutylbutan-1-amine);(4-fluorophenoxy)boronic acid
CID 172817318

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-hydroxyphenoxy)boronic acid?
The IUPAC name of (4-fluoro-3-hydroxyphenoxy)boronic acid (CID 142798928) is (4-fluoro-3-hydroxyphenoxy)boronic acid.
What is the SMILES notation for (4-fluoro-3-hydroxyphenoxy)boronic acid?
The canonical SMILES for (4-fluoro-3-hydroxyphenoxy)boronic acid is OB(O)Oc1ccc(F)c(O)c1.
What is the InChIKey of (4-fluoro-3-hydroxyphenoxy)boronic acid?
The InChIKey is ISAONZKVLXCOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BFO4/c8-5-2-1-4(3-6(5)9)12-7(10)11/h1-3,9-11H.
What are the key properties of (4-fluoro-3-hydroxyphenoxy)boronic acid?
(4-fluoro-3-hydroxyphenoxy)boronic acid has a molecular weight of 171.92 g/mol, XLogP of -0.12, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-hydroxyphenoxy)boronic acid is sourced from PubChem (CID 142798928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).