[2,3-difluoro-6-(methoxymethoxy)phenyl]boronic acid

C8H9BF2O4 — CID 138987194

IUPAC[2,3-difluoro-6-(methoxymethoxy)phenyl]boronic acid
SMILESCOCOc1ccc(F)c(F)c1B(O)O
InChIInChI=1S/C8H9BF2O4/c1-14-4-15-6-3-2-5(10)8(11)7(6)9(12)13/h2-3,12-13H,4H2,1H3
InChIKeyFFANQKHRNVPWOC-UHFFFAOYSA-N
MW217.96 g/mol
LogP-0.37
Rot. Bonds4

About [2,3-difluoro-6-(methoxymethoxy)phenyl]boronic acid

[2,3-difluoro-6-(methoxymethoxy)phenyl]boronic acid (PubChem CID 138987194) has the molecular formula C8H9BF2O4 and a molecular weight of 217.96 g/mol. Its IUPAC name is [2,3-difluoro-6-(methoxymethoxy)phenyl]boronic acid.

Molecular Properties

Compound Name[2,3-difluoro-6-(methoxymethoxy)phenyl]boronic acid
PubChem CID138987194
Molecular FormulaC8H9BF2O4
Molecular Weight217.96 g/mol
Exact Mass218.06
IUPAC Name[2,3-difluoro-6-(methoxymethoxy)phenyl]boronic acid
SMILESCOCOc1ccc(F)c(F)c1B(O)O
InChIInChI=1S/C8H9BF2O4/c1-14-4-15-6-3-2-5(10)8(11)7(6)9(12)13/h2-3,12-13H,4H2,1H3
InChIKeyFFANQKHRNVPWOC-UHFFFAOYSA-N
XLogP-0.37
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.96
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-6-(methoxymethoxy)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

[6-chloro-2-fluoro-3-(methoxymethoxy)phenyl]boronic acid
CID 138987196
[2,3-difluoro-4-(methoxymethoxy)phenoxy]boronic acid
CID 142634307
[2,4-difluoro-5-(methoxymethoxy)phenyl]boronic acid
CID 164891744
(3-ethoxy-2-fluoro-6-methoxyphenyl)boronic acid
CID 164895481
2-fluoro-3-(methoxymethoxy)-1,4-dimethylbenzene
CID 164891583
2-fluoro-3-(methoxymethoxy)phenol
CID 125115962
[5-methoxy-2-(methoxymethoxy)phenyl]boronic acid
CID 112694276
2-fluoro-1-(methoxymethoxy)-4-methylsulfanylbenzene
CID 22031808
1,2,5-trifluoro-3-(methoxymethoxy)benzene
CID 67531702
[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]boronic acid
CID 169249198
[4-cyano-2-(methoxymethoxy)phenyl]boronic acid
CID 170993970
1-fluoro-3-iodo-4-methoxy-2-(methoxymethoxy)benzene
CID 171367766

Frequently Asked Questions

What is the IUPAC name of [2,3-difluoro-6-(methoxymethoxy)phenyl]boronic acid?
The IUPAC name of [2,3-difluoro-6-(methoxymethoxy)phenyl]boronic acid (CID 138987194) is [2,3-difluoro-6-(methoxymethoxy)phenyl]boronic acid.
What is the SMILES notation for [2,3-difluoro-6-(methoxymethoxy)phenyl]boronic acid?
The canonical SMILES for [2,3-difluoro-6-(methoxymethoxy)phenyl]boronic acid is COCOc1ccc(F)c(F)c1B(O)O.
What is the InChIKey of [2,3-difluoro-6-(methoxymethoxy)phenyl]boronic acid?
The InChIKey is FFANQKHRNVPWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BF2O4/c1-14-4-15-6-3-2-5(10)8(11)7(6)9(12)13/h2-3,12-13H,4H2,1H3.
What are the key properties of [2,3-difluoro-6-(methoxymethoxy)phenyl]boronic acid?
[2,3-difluoro-6-(methoxymethoxy)phenyl]boronic acid has a molecular weight of 217.96 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-difluoro-6-(methoxymethoxy)phenyl]boronic acid is sourced from PubChem (CID 138987194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).