(2-fluorophenyl)boronic acid

C6H6BFO2 — CID 2734354

IUPAC(2-fluorophenyl)boronic acid
SMILESOB(O)c1ccccc1F
InChIInChI=1S/C6H6BFO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4,9-10H
InChIKeyQCSLIRFWJPOENV-UHFFFAOYSA-N
MW139.92 g/mol
LogP-0.49
Rot. Bonds1

About (2-fluorophenyl)boronic acid

(2-fluorophenyl)boronic acid (PubChem CID 2734354) has the molecular formula C6H6BFO2 and a molecular weight of 139.92 g/mol. Its IUPAC name is (2-fluorophenyl)boronic acid.

Molecular Properties

Compound Name(2-fluorophenyl)boronic acid
PubChem CID2734354
Molecular FormulaC6H6BFO2
Molecular Weight139.92 g/mol
Exact Mass140.04
IUPAC Name(2-fluorophenyl)boronic acid
SMILESOB(O)c1ccccc1F
InChIInChI=1S/C6H6BFO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4,9-10H
InChIKeyQCSLIRFWJPOENV-UHFFFAOYSA-N
XLogP-0.49
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.92
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Phenylboronic Acid
CID 66827
Phenylmercury borate
CID 16683761
Fluorobenzene
CID 10008
1,3-Difluorobenzene
CID 9741
1,4-Difluorobenzene
CID 10892
(3,5-Difluorophenyl)boronic acid
CID 2734338
Benzeneseleninic acid
CID 23427
4-Fluorophenylboronic acid
CID 285645
1,2-Difluorobenzene
CID 9706
1,4-Benzenediboronic acid
CID 230478
3-Fluoro-4-methylbenzeneboronic acid
CID 2782674
(2-Fluoro-4-methylphenyl)boronic acid
CID 2783132

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)boronic acid?
The IUPAC name of (2-fluorophenyl)boronic acid (CID 2734354) is (2-fluorophenyl)boronic acid.
What is the SMILES notation for (2-fluorophenyl)boronic acid?
The canonical SMILES for (2-fluorophenyl)boronic acid is OB(O)c1ccccc1F.
What is the InChIKey of (2-fluorophenyl)boronic acid?
The InChIKey is QCSLIRFWJPOENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BFO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4,9-10H.
What are the key properties of (2-fluorophenyl)boronic acid?
(2-fluorophenyl)boronic acid has a molecular weight of 139.92 g/mol, XLogP of -0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)boronic acid is sourced from PubChem (CID 2734354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).