(5-amino-2-fluorophenyl)boronic acid

C6H7BFNO2 — CID 4683192

IUPAC(5-amino-2-fluorophenyl)boronic acid
SMILESNc1ccc(F)c(B(O)O)c1
InChIInChI=1S/C6H7BFNO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3,10-11H,9H2
InChIKeyCDZMVORRMKESPD-UHFFFAOYSA-N
MW154.94 g/mol
LogP-0.91
Rot. Bonds1

About (5-amino-2-fluorophenyl)boronic acid

(5-amino-2-fluorophenyl)boronic acid (PubChem CID 4683192) has the molecular formula C6H7BFNO2 and a molecular weight of 154.94 g/mol. Its IUPAC name is (5-amino-2-fluorophenyl)boronic acid.

Molecular Properties

Compound Name(5-amino-2-fluorophenyl)boronic acid
PubChem CID4683192
Molecular FormulaC6H7BFNO2
Molecular Weight154.94 g/mol
Exact Mass155.06
IUPAC Name(5-amino-2-fluorophenyl)boronic acid
SMILESNc1ccc(F)c(B(O)O)c1
InChIInChI=1S/C6H7BFNO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3,10-11H,9H2
InChIKeyCDZMVORRMKESPD-UHFFFAOYSA-N
XLogP-0.91
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.94
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-amino-2-fluorophenyl)boronic acid?
The IUPAC name of (5-amino-2-fluorophenyl)boronic acid (CID 4683192) is (5-amino-2-fluorophenyl)boronic acid.
What is the SMILES notation for (5-amino-2-fluorophenyl)boronic acid?
The canonical SMILES for (5-amino-2-fluorophenyl)boronic acid is Nc1ccc(F)c(B(O)O)c1.
What is the InChIKey of (5-amino-2-fluorophenyl)boronic acid?
The InChIKey is CDZMVORRMKESPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BFNO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3,10-11H,9H2.
What are the key properties of (5-amino-2-fluorophenyl)boronic acid?
(5-amino-2-fluorophenyl)boronic acid has a molecular weight of 154.94 g/mol, XLogP of -0.91, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-fluorophenyl)boronic acid is sourced from PubChem (CID 4683192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).