(2-fluoro-6-formylphenyl)boronic acid

C7H6BFO3 — CID 56776667

IUPAC(2-fluoro-6-formylphenyl)boronic acid
SMILESO=Cc1cccc(F)c1B(O)O
InChIInChI=1S/C7H6BFO3/c9-6-3-1-2-5(4-10)7(6)8(11)12/h1-4,11-12H
InChIKeyKVLSAVAVMYTPAR-UHFFFAOYSA-N
MW167.93 g/mol
LogP-0.68
Rot. Bonds2

About (2-fluoro-6-formylphenyl)boronic acid

(2-fluoro-6-formylphenyl)boronic acid (PubChem CID 56776667) has the molecular formula C7H6BFO3 and a molecular weight of 167.93 g/mol. Its IUPAC name is (2-fluoro-6-formylphenyl)boronic acid.

Molecular Properties

Compound Name(2-fluoro-6-formylphenyl)boronic acid
PubChem CID56776667
Molecular FormulaC7H6BFO3
Molecular Weight167.93 g/mol
Exact Mass168.04
IUPAC Name(2-fluoro-6-formylphenyl)boronic acid
SMILESO=Cc1cccc(F)c1B(O)O
InChIInChI=1S/C7H6BFO3/c9-6-3-1-2-5(4-10)7(6)8(11)12/h1-4,11-12H
InChIKeyKVLSAVAVMYTPAR-UHFFFAOYSA-N
XLogP-0.68
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.93
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-6-formylphenyl)boronic acid?
The IUPAC name of (2-fluoro-6-formylphenyl)boronic acid (CID 56776667) is (2-fluoro-6-formylphenyl)boronic acid.
What is the SMILES notation for (2-fluoro-6-formylphenyl)boronic acid?
The canonical SMILES for (2-fluoro-6-formylphenyl)boronic acid is O=Cc1cccc(F)c1B(O)O.
What is the InChIKey of (2-fluoro-6-formylphenyl)boronic acid?
The InChIKey is KVLSAVAVMYTPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BFO3/c9-6-3-1-2-5(4-10)7(6)8(11)12/h1-4,11-12H.
What are the key properties of (2-fluoro-6-formylphenyl)boronic acid?
(2-fluoro-6-formylphenyl)boronic acid has a molecular weight of 167.93 g/mol, XLogP of -0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-6-formylphenyl)boronic acid is sourced from PubChem (CID 56776667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).