(2-fluoro-4-methylphenyl)boronic acid

C7H8BFO2 — CID 2783132

IUPAC(2-fluoro-4-methylphenyl)boronic acid
SMILESCc1ccc(B(O)O)c(F)c1
InChIInChI=1S/C7H8BFO2/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,10-11H,1H3
InChIKeyLIXXGOMAGHXIMP-UHFFFAOYSA-N
MW153.95 g/mol
LogP-0.19
Rot. Bonds1

About (2-fluoro-4-methylphenyl)boronic acid

(2-fluoro-4-methylphenyl)boronic acid (PubChem CID 2783132) has the molecular formula C7H8BFO2 and a molecular weight of 153.95 g/mol. Its IUPAC name is (2-fluoro-4-methylphenyl)boronic acid.

Molecular Properties

Compound Name(2-fluoro-4-methylphenyl)boronic acid
PubChem CID2783132
Molecular FormulaC7H8BFO2
Molecular Weight153.95 g/mol
Exact Mass154.06
IUPAC Name(2-fluoro-4-methylphenyl)boronic acid
SMILESCc1ccc(B(O)O)c(F)c1
InChIInChI=1S/C7H8BFO2/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,10-11H,1H3
InChIKeyLIXXGOMAGHXIMP-UHFFFAOYSA-N
XLogP-0.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.95
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-4-methylphenyl)boronic acid?
The IUPAC name of (2-fluoro-4-methylphenyl)boronic acid (CID 2783132) is (2-fluoro-4-methylphenyl)boronic acid.
What is the SMILES notation for (2-fluoro-4-methylphenyl)boronic acid?
The canonical SMILES for (2-fluoro-4-methylphenyl)boronic acid is Cc1ccc(B(O)O)c(F)c1.
What is the InChIKey of (2-fluoro-4-methylphenyl)boronic acid?
The InChIKey is LIXXGOMAGHXIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BFO2/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,10-11H,1H3.
What are the key properties of (2-fluoro-4-methylphenyl)boronic acid?
(2-fluoro-4-methylphenyl)boronic acid has a molecular weight of 153.95 g/mol, XLogP of -0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methylphenyl)boronic acid is sourced from PubChem (CID 2783132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).