(2-fluoro-3-methoxyphenyl)boronic acid

C7H8BFO3 — CID 4985744

IUPAC(2-fluoro-3-methoxyphenyl)boronic acid
SMILESCOc1cccc(B(O)O)c1F
InChIInChI=1S/C7H8BFO3/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4,10-11H,1H3
InChIKeyJCKZNMSBFBPDPM-UHFFFAOYSA-N
MW169.95 g/mol
LogP-0.49
Rot. Bonds2

About (2-fluoro-3-methoxyphenyl)boronic acid

(2-fluoro-3-methoxyphenyl)boronic acid (PubChem CID 4985744) has the molecular formula C7H8BFO3 and a molecular weight of 169.95 g/mol. Its IUPAC name is (2-fluoro-3-methoxyphenyl)boronic acid.

Molecular Properties

Compound Name(2-fluoro-3-methoxyphenyl)boronic acid
PubChem CID4985744
Molecular FormulaC7H8BFO3
Molecular Weight169.95 g/mol
Exact Mass170.06
IUPAC Name(2-fluoro-3-methoxyphenyl)boronic acid
SMILESCOc1cccc(B(O)O)c1F
InChIInChI=1S/C7H8BFO3/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4,10-11H,1H3
InChIKeyJCKZNMSBFBPDPM-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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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methoxyphenyl)boronic acid?
The IUPAC name of (2-fluoro-3-methoxyphenyl)boronic acid (CID 4985744) is (2-fluoro-3-methoxyphenyl)boronic acid.
What is the SMILES notation for (2-fluoro-3-methoxyphenyl)boronic acid?
The canonical SMILES for (2-fluoro-3-methoxyphenyl)boronic acid is COc1cccc(B(O)O)c1F.
What is the InChIKey of (2-fluoro-3-methoxyphenyl)boronic acid?
The InChIKey is JCKZNMSBFBPDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BFO3/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4,10-11H,1H3.
What are the key properties of (2-fluoro-3-methoxyphenyl)boronic acid?
(2-fluoro-3-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-3-methoxyphenyl)boronic acid is sourced from PubChem (CID 4985744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).