[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]boronic acid

C12H18BFO5 — CID 103410549

IUPAC[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]boronic acid
SMILESCOCCOCCCOc1cc(F)ccc1B(O)O
InChIInChI=1S/C12H18BFO5/c1-17-7-8-18-5-2-6-19-12-9-10(14)3-4-11(12)13(15)16/h3-4,9,15-16H,2,5-8H2,1H3
InChIKeyQDIRPMZGKFIYFU-UHFFFAOYSA-N
MW272.08 g/mol
LogP-0.06
Rot. Bonds9

About [4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]boronic acid

[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]boronic acid (PubChem CID 103410549) has the molecular formula C12H18BFO5 and a molecular weight of 272.08 g/mol. Its IUPAC name is [4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]boronic acid.

Molecular Properties

Compound Name[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]boronic acid
PubChem CID103410549
Molecular FormulaC12H18BFO5
Molecular Weight272.08 g/mol
Exact Mass272.12
IUPAC Name[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]boronic acid
SMILESCOCCOCCCOc1cc(F)ccc1B(O)O
InChIInChI=1S/C12H18BFO5/c1-17-7-8-18-5-2-6-19-12-9-10(14)3-4-11(12)13(15)16/h3-4,9,15-16H,2,5-8H2,1H3
InChIKeyQDIRPMZGKFIYFU-UHFFFAOYSA-N
XLogP-0.06
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.08
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410280
[4-fluoro-2-(4,4,4-trifluorobutoxy)phenyl]boronic acid
CID 115514513
trifluoro-[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]boranuide
CID 103410551
[5-fluoro-2-(4-methoxybutoxy)phenyl]boronic acid
CID 104648202
[2-(3-ethoxypropoxy)-5-fluorophenyl]boronic acid
CID 65175210
1-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzene
CID 103413941
3-[5-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]prop-2-yn-1-ol
CID 103411388
[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]boronic acid
CID 103180882
5-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzenesulfonyl chloride
CID 103409266
5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]aniline
CID 104559855
5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]benzonitrile
CID 103177563
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-methylphenyl]boronic acid
CID 104564329

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]boronic acid?
The IUPAC name of [4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]boronic acid (CID 103410549) is [4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]boronic acid.
What is the SMILES notation for [4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]boronic acid?
The canonical SMILES for [4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]boronic acid is COCCOCCCOc1cc(F)ccc1B(O)O.
What is the InChIKey of [4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]boronic acid?
The InChIKey is QDIRPMZGKFIYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BFO5/c1-17-7-8-18-5-2-6-19-12-9-10(14)3-4-11(12)13(15)16/h3-4,9,15-16H,2,5-8H2,1H3.
What are the key properties of [4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]boronic acid?
[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]boronic acid has a molecular weight of 272.08 g/mol, XLogP of -0.06, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]boronic acid is sourced from PubChem (CID 103410549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).