(4-ethoxy-3-fluorophenyl)boronic acid

C8H10BFO3 — CID 2782821

IUPAC(4-ethoxy-3-fluorophenyl)boronic acid
SMILESCCOc1ccc(B(O)O)cc1F
InChIInChI=1S/C8H10BFO3/c1-2-13-8-4-3-6(9(11)12)5-7(8)10/h3-5,11-12H,2H2,1H3
InChIKeyZONJMULNQBNBGU-UHFFFAOYSA-N
MW183.97 g/mol
LogP-0.10
Rot. Bonds3

About (4-ethoxy-3-fluorophenyl)boronic acid

(4-ethoxy-3-fluorophenyl)boronic acid (PubChem CID 2782821) has the molecular formula C8H10BFO3 and a molecular weight of 183.97 g/mol. Its IUPAC name is (4-ethoxy-3-fluorophenyl)boronic acid.

Molecular Properties

Compound Name(4-ethoxy-3-fluorophenyl)boronic acid
PubChem CID2782821
Molecular FormulaC8H10BFO3
Molecular Weight183.97 g/mol
Exact Mass184.07
IUPAC Name(4-ethoxy-3-fluorophenyl)boronic acid
SMILESCCOc1ccc(B(O)O)cc1F
InChIInChI=1S/C8H10BFO3/c1-2-13-8-4-3-6(9(11)12)5-7(8)10/h3-5,11-12H,2H2,1H3
InChIKeyZONJMULNQBNBGU-UHFFFAOYSA-N
XLogP-0.10
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.97
LogP ≤ 5-0.10
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 (4-ethoxy-3-fluorophenyl)boronic acid?
The IUPAC name of (4-ethoxy-3-fluorophenyl)boronic acid (CID 2782821) is (4-ethoxy-3-fluorophenyl)boronic acid.
What is the SMILES notation for (4-ethoxy-3-fluorophenyl)boronic acid?
The canonical SMILES for (4-ethoxy-3-fluorophenyl)boronic acid is CCOc1ccc(B(O)O)cc1F.
What is the InChIKey of (4-ethoxy-3-fluorophenyl)boronic acid?
The InChIKey is ZONJMULNQBNBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BFO3/c1-2-13-8-4-3-6(9(11)12)5-7(8)10/h3-5,11-12H,2H2,1H3.
What are the key properties of (4-ethoxy-3-fluorophenyl)boronic acid?
(4-ethoxy-3-fluorophenyl)boronic acid has a molecular weight of 183.97 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-3-fluorophenyl)boronic acid is sourced from PubChem (CID 2782821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).