(2-fluoro-6-methoxyphenyl)boronic acid

C7H8BFO3 — CID 3294524

IUPAC(2-fluoro-6-methoxyphenyl)boronic acid
SMILESCOc1cccc(F)c1B(O)O
InChIInChI=1S/C7H8BFO3/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4,10-11H,1H3
InChIKeyXOVMDVZAWWQSDC-UHFFFAOYSA-N
MW169.95 g/mol
LogP-0.49
Rot. Bonds2

About (2-fluoro-6-methoxyphenyl)boronic acid

(2-fluoro-6-methoxyphenyl)boronic acid (PubChem CID 3294524) has the molecular formula C7H8BFO3 and a molecular weight of 169.95 g/mol. Its IUPAC name is (2-fluoro-6-methoxyphenyl)boronic acid.

Molecular Properties

Compound Name(2-fluoro-6-methoxyphenyl)boronic acid
PubChem CID3294524
Molecular FormulaC7H8BFO3
Molecular Weight169.95 g/mol
Exact Mass170.06
IUPAC Name(2-fluoro-6-methoxyphenyl)boronic acid
SMILESCOc1cccc(F)c1B(O)O
InChIInChI=1S/C7H8BFO3/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4,10-11H,1H3
InChIKeyXOVMDVZAWWQSDC-UHFFFAOYSA-N
XLogP-0.49
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.95
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

difluoro-(2-fluoro-6-methoxyphenyl)borane
CID 165159856
1-bromo-2,3-difluorobenzene;carbanide;1,2-difluoro-3-(2-fluoro-6-methoxyphenyl)benzene;(2-fluoro-6-methoxyphenyl)boronic acid
CID 162159634
(2,5-difluorophenyl)boronic acid;(2,6-difluorophenyl)boronic acid
CID 67115134
(2-methoxyphenyl)boronic acid;(2,3,4,5,6-pentafluorophenyl)boronic acid
CID 172849713
4-bromo-2-(2-fluoro-6-methoxyphenyl)aniline;4-bromo-2-iodoaniline;deuteride;(2-fluoro-6-methoxyphenyl)boronic acid
CID 160700852
carbon dioxide;1-fluoro-2-methoxybenzene
CID 159972007
2-(2,3-difluorophenyl)-6-methoxyphenol
CID 83130446
(3-fluoro-4-methoxyphenyl)boronic acid
CID 2782194
1,2-difluoro-3-(2-methoxyphenyl)benzene
CID 57230342
(4-fluoro-3-methoxyphenyl)boronic acid
CID 44558185
[2-methoxy-6-(methoxymethoxymethyl)phenyl]boronic acid
CID 10727916
magnesium;1-fluoro-2-methoxybenzene;hydride
CID 174440812

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-6-methoxyphenyl)boronic acid?
The IUPAC name of (2-fluoro-6-methoxyphenyl)boronic acid (CID 3294524) is (2-fluoro-6-methoxyphenyl)boronic acid.
What is the SMILES notation for (2-fluoro-6-methoxyphenyl)boronic acid?
The canonical SMILES for (2-fluoro-6-methoxyphenyl)boronic acid is COc1cccc(F)c1B(O)O.
What is the InChIKey of (2-fluoro-6-methoxyphenyl)boronic acid?
The InChIKey is XOVMDVZAWWQSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BFO3/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4,10-11H,1H3.
What are the key properties of (2-fluoro-6-methoxyphenyl)boronic acid?
(2-fluoro-6-methoxyphenyl)boronic acid has a molecular weight of 169.95 g/mol, XLogP of -0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-6-methoxyphenyl)boronic acid is sourced from PubChem (CID 3294524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).