(3-fluorophenyl)boronic acid

C6H6BFO2 — CID 2733986

IUPAC(3-fluorophenyl)boronic acid
SMILESOB(O)c1cccc(F)c1
InChIInChI=1S/C6H6BFO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H
InChIKeyKNXQDJCZSVHEIW-UHFFFAOYSA-N
MW139.92 g/mol
LogP-0.49
Rot. Bonds1

About (3-fluorophenyl)boronic acid

(3-fluorophenyl)boronic acid (PubChem CID 2733986) has the molecular formula C6H6BFO2 and a molecular weight of 139.92 g/mol. Its IUPAC name is (3-fluorophenyl)boronic acid.

Molecular Properties

Compound Name(3-fluorophenyl)boronic acid
PubChem CID2733986
Molecular FormulaC6H6BFO2
Molecular Weight139.92 g/mol
Exact Mass140.04
IUPAC Name(3-fluorophenyl)boronic acid
SMILESOB(O)c1cccc(F)c1
InChIInChI=1S/C6H6BFO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H
InChIKeyKNXQDJCZSVHEIW-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
2-Fluorophenylboronic acid
CID 2734354
Benzeneseleninic acid
CID 23427
4-Fluorophenylboronic acid
CID 285645
(3,5-Difluorophenyl)boronic acid
CID 2734338
1,2-Difluorobenzene
CID 9706
1,4-Benzenediboronic acid
CID 230478
3-Fluoro-4-methylbenzeneboronic acid
CID 2782674

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)boronic acid?
The IUPAC name of (3-fluorophenyl)boronic acid (CID 2733986) is (3-fluorophenyl)boronic acid.
What is the SMILES notation for (3-fluorophenyl)boronic acid?
The canonical SMILES for (3-fluorophenyl)boronic acid is OB(O)c1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl)boronic acid?
The InChIKey is KNXQDJCZSVHEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BFO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H.
What are the key properties of (3-fluorophenyl)boronic acid?
(3-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 (3-fluorophenyl)boronic acid is sourced from PubChem (CID 2733986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).