[2,3-difluoro-4-(methoxymethoxy)phenoxy]boronic acid

C8H9BF2O5 — CID 142634307

IUPAC[2,3-difluoro-4-(methoxymethoxy)phenoxy]boronic acid
SMILESCOCOc1ccc(OB(O)O)c(F)c1F
InChIInChI=1S/C8H9BF2O5/c1-14-4-15-5-2-3-6(16-9(12)13)8(11)7(5)10/h2-3,12-13H,4H2,1H3
InChIKeyJSVWXFDUWVJGST-UHFFFAOYSA-N
MW233.96 g/mol
LogP0.30
Rot. Bonds5

About [2,3-difluoro-4-(methoxymethoxy)phenoxy]boronic acid

[2,3-difluoro-4-(methoxymethoxy)phenoxy]boronic acid (PubChem CID 142634307) has the molecular formula C8H9BF2O5 and a molecular weight of 233.96 g/mol. Its IUPAC name is [2,3-difluoro-4-(methoxymethoxy)phenoxy]boronic acid.

Molecular Properties

Compound Name[2,3-difluoro-4-(methoxymethoxy)phenoxy]boronic acid
PubChem CID142634307
Molecular FormulaC8H9BF2O5
Molecular Weight233.96 g/mol
Exact Mass234.05
IUPAC Name[2,3-difluoro-4-(methoxymethoxy)phenoxy]boronic acid
SMILESCOCOc1ccc(OB(O)O)c(F)c1F
InChIInChI=1S/C8H9BF2O5/c1-14-4-15-5-2-3-6(16-9(12)13)8(11)7(5)10/h2-3,12-13H,4H2,1H3
InChIKeyJSVWXFDUWVJGST-UHFFFAOYSA-N
XLogP0.30
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.96
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [2,3-difluoro-4-(methoxymethoxy)phenoxy]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

[6-chloro-2-fluoro-3-(methoxymethoxy)phenyl]boronic acid
CID 138987196
[2,3-difluoro-6-(methoxymethoxy)phenyl]boronic acid
CID 138987194
(7-ethoxy-4,6-difluorodibenzothiophen-3-yl)oxyboronic acid
CID 172852469
2-fluoro-3-(methoxymethoxy)phenol
CID 125115962
[4-(methoxymethoxy)phenoxy]boronic acid
CID 54191014
(2-fluoro-3-methoxy-4-methylphenoxy)boronic acid
CID 142696203
[2,4-difluoro-5-(methoxymethoxy)phenyl]boronic acid
CID 164891744
[5-methoxy-2-(methoxymethoxy)phenyl]boronic acid
CID 112694276
(3-ethoxy-2-fluoro-6-methoxyphenyl)boronic acid
CID 164895481
2-fluoro-3-(methoxymethoxy)benzonitrile
CID 142496816
2-fluoro-3-(methoxymethoxy)-1,4-dimethylbenzene
CID 164891583
(3-ethoxycarbonyl-2-fluorophenoxy)boronic acid
CID 150485797

Frequently Asked Questions

What is the IUPAC name of [2,3-difluoro-4-(methoxymethoxy)phenoxy]boronic acid?
The IUPAC name of [2,3-difluoro-4-(methoxymethoxy)phenoxy]boronic acid (CID 142634307) is [2,3-difluoro-4-(methoxymethoxy)phenoxy]boronic acid.
What is the SMILES notation for [2,3-difluoro-4-(methoxymethoxy)phenoxy]boronic acid?
The canonical SMILES for [2,3-difluoro-4-(methoxymethoxy)phenoxy]boronic acid is COCOc1ccc(OB(O)O)c(F)c1F.
What is the InChIKey of [2,3-difluoro-4-(methoxymethoxy)phenoxy]boronic acid?
The InChIKey is JSVWXFDUWVJGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BF2O5/c1-14-4-15-5-2-3-6(16-9(12)13)8(11)7(5)10/h2-3,12-13H,4H2,1H3.
What are the key properties of [2,3-difluoro-4-(methoxymethoxy)phenoxy]boronic acid?
[2,3-difluoro-4-(methoxymethoxy)phenoxy]boronic acid has a molecular weight of 233.96 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-difluoro-4-(methoxymethoxy)phenoxy]boronic acid is sourced from PubChem (CID 142634307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).