(2-amino-4-fluorophenyl)boronic acid

C6H7BFNO2 — CID 68784088

IUPAC(2-amino-4-fluorophenyl)boronic acid
SMILESNc1cc(F)ccc1B(O)O
InChIInChI=1S/C6H7BFNO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,10-11H,9H2
InChIKeyPYEDYJJGEREHLN-UHFFFAOYSA-N
MW154.94 g/mol
LogP-0.91
Rot. Bonds1

About (2-amino-4-fluorophenyl)boronic acid

(2-amino-4-fluorophenyl)boronic acid (PubChem CID 68784088) has the molecular formula C6H7BFNO2 and a molecular weight of 154.94 g/mol. Its IUPAC name is (2-amino-4-fluorophenyl)boronic acid.

Molecular Properties

Compound Name(2-amino-4-fluorophenyl)boronic acid
PubChem CID68784088
Molecular FormulaC6H7BFNO2
Molecular Weight154.94 g/mol
Exact Mass155.06
IUPAC Name(2-amino-4-fluorophenyl)boronic acid
SMILESNc1cc(F)ccc1B(O)O
InChIInChI=1S/C6H7BFNO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,10-11H,9H2
InChIKeyPYEDYJJGEREHLN-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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Related Compounds

(4-fluoro-2-methylsulfanylphenyl)boronic acid
CID 53216523
[2-(aminomethyl)-4-fluorophenyl]boronic acid;hydrochloride
CID 44886926
(2-ethyl-4-fluorophenyl)boronic acid
CID 90206315
(4-fluoro-2-methanehydrazonoylphenyl)boronic acid
CID 168529073
2,5-difluoroaniline;ethane
CID 143759951
(4-fluoro-2-pyrrolidin-1-ylphenyl)boronic acid
CID 147882960
[2-amino-4-[(2-methylpropan-2-yl)oxy]phenyl]boronic acid
CID 68787578
(2-acetamido-4-fluorophenyl)boronic acid
CID 67417206
5-fluoro-2-prop-1-en-2-ylaniline
CID 124704429
(2-tert-butyl-5-fluorophenyl)boronic acid
CID 174006795
N-(2-amino-5-fluorophenyl)-N-dimethylboronamidic acid
CID 158241430
(2-amino-5-fluorophenoxy)boronic acid
CID 142800926

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-fluorophenyl)boronic acid?
The IUPAC name of (2-amino-4-fluorophenyl)boronic acid (CID 68784088) is (2-amino-4-fluorophenyl)boronic acid.
What is the SMILES notation for (2-amino-4-fluorophenyl)boronic acid?
The canonical SMILES for (2-amino-4-fluorophenyl)boronic acid is Nc1cc(F)ccc1B(O)O.
What is the InChIKey of (2-amino-4-fluorophenyl)boronic acid?
The InChIKey is PYEDYJJGEREHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BFNO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,10-11H,9H2.
What are the key properties of (2-amino-4-fluorophenyl)boronic acid?
(2-amino-4-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 (2-amino-4-fluorophenyl)boronic acid is sourced from PubChem (CID 68784088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).