[5-fluoro-2-(4-methoxybutoxy)phenyl]boronic acid

C11H16BFO4 — CID 104648202

IUPAC[5-fluoro-2-(4-methoxybutoxy)phenyl]boronic acid
SMILESCOCCCCOc1ccc(F)cc1B(O)O
InChIInChI=1S/C11H16BFO4/c1-16-6-2-3-7-17-11-5-4-9(13)8-10(11)12(14)15/h4-5,8,14-15H,2-3,6-7H2,1H3
InChIKeyUUOTXIFNSHHROW-UHFFFAOYSA-N
MW242.06 g/mol
LogP0.31
Rot. Bonds7

About [5-fluoro-2-(4-methoxybutoxy)phenyl]boronic acid

[5-fluoro-2-(4-methoxybutoxy)phenyl]boronic acid (PubChem CID 104648202) has the molecular formula C11H16BFO4 and a molecular weight of 242.06 g/mol. Its IUPAC name is [5-fluoro-2-(4-methoxybutoxy)phenyl]boronic acid.

Molecular Properties

Compound Name[5-fluoro-2-(4-methoxybutoxy)phenyl]boronic acid
PubChem CID104648202
Molecular FormulaC11H16BFO4
Molecular Weight242.06 g/mol
Exact Mass242.11
IUPAC Name[5-fluoro-2-(4-methoxybutoxy)phenyl]boronic acid
SMILESCOCCCCOc1ccc(F)cc1B(O)O
InChIInChI=1S/C11H16BFO4/c1-16-6-2-3-7-17-11-5-4-9(13)8-10(11)12(14)15/h4-5,8,14-15H,2-3,6-7H2,1H3
InChIKeyUUOTXIFNSHHROW-UHFFFAOYSA-N
XLogP0.31
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.06
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(3-ethoxypropoxy)-5-fluorophenyl]boronic acid
CID 65175210
[2-(4-methoxybutoxy)phenyl]boronic acid
CID 104648198
[5-fluoro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]boronic acid
CID 65445261
5-fluoro-2-(4-methoxybutoxy)aniline
CID 104646776
[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]boronic acid
CID 103410549
trifluoro-[5-fluoro-2-(4-methoxybutoxy)phenyl]boranuide
CID 104648215
[2-[(E)-but-2-enoxy]-5-fluorophenyl]boronic acid
CID 43145388
[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]boronic acid
CID 103180882
[2-[(Z)-3-chloro-2-methylprop-2-enoxy]-5-fluorophenyl]boronic acid
CID 106439016
[5-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]boronic acid
CID 103003887
[5-fluoro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]boronic acid
CID 82870154
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-methylphenyl]boronic acid
CID 104564329

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(4-methoxybutoxy)phenyl]boronic acid?
The IUPAC name of [5-fluoro-2-(4-methoxybutoxy)phenyl]boronic acid (CID 104648202) is [5-fluoro-2-(4-methoxybutoxy)phenyl]boronic acid.
What is the SMILES notation for [5-fluoro-2-(4-methoxybutoxy)phenyl]boronic acid?
The canonical SMILES for [5-fluoro-2-(4-methoxybutoxy)phenyl]boronic acid is COCCCCOc1ccc(F)cc1B(O)O.
What is the InChIKey of [5-fluoro-2-(4-methoxybutoxy)phenyl]boronic acid?
The InChIKey is UUOTXIFNSHHROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BFO4/c1-16-6-2-3-7-17-11-5-4-9(13)8-10(11)12(14)15/h4-5,8,14-15H,2-3,6-7H2,1H3.
What are the key properties of [5-fluoro-2-(4-methoxybutoxy)phenyl]boronic acid?
[5-fluoro-2-(4-methoxybutoxy)phenyl]boronic acid has a molecular weight of 242.06 g/mol, XLogP of 0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(4-methoxybutoxy)phenyl]boronic acid is sourced from PubChem (CID 104648202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).