[2-(aminomethyl)-4-fluorophenoxy]boronic acid

C7H9BFNO3 — CID 151062156

IUPAC[2-(aminomethyl)-4-fluorophenoxy]boronic acid
SMILESNCc1cc(F)ccc1OB(O)O
InChIInChI=1S/C7H9BFNO3/c9-6-1-2-7(13-8(11)12)5(3-6)4-10/h1-3,11-12H,4,10H2
InChIKeyMGJXPHRWQVVCPW-UHFFFAOYSA-N
MW184.96 g/mol
LogP-0.37
Rot. Bonds3

About [2-(aminomethyl)-4-fluorophenoxy]boronic acid

[2-(aminomethyl)-4-fluorophenoxy]boronic acid (PubChem CID 151062156) has the molecular formula C7H9BFNO3 and a molecular weight of 184.96 g/mol. Its IUPAC name is [2-(aminomethyl)-4-fluorophenoxy]boronic acid.

Molecular Properties

Compound Name[2-(aminomethyl)-4-fluorophenoxy]boronic acid
PubChem CID151062156
Molecular FormulaC7H9BFNO3
Molecular Weight184.96 g/mol
Exact Mass185.07
IUPAC Name[2-(aminomethyl)-4-fluorophenoxy]boronic acid
SMILESNCc1cc(F)ccc1OB(O)O
InChIInChI=1S/C7H9BFNO3/c9-6-1-2-7(13-8(11)12)5(3-6)4-10/h1-3,11-12H,4,10H2
InChIKeyMGJXPHRWQVVCPW-UHFFFAOYSA-N
XLogP-0.37
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.96
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
[2-(aminomethyl)-4-fluorophenyl] acetate
CID 151844429
(4-fluoro-2-methylphenoxy)boronic acid
CID 14579594
(2-amino-5-fluorophenoxy)boronic acid
CID 142800926
(5-fluoro-2-trimethylsilyloxyphenyl)methanamine
CID 167725830
[2-(aminomethyl)-4-fluorophenyl]boronic acid;hydrochloride
CID 44886926
[2-(2-chloroprop-2-enoxy)-5-fluorophenyl]methanamine
CID 107694806
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
(5-fluoro-2-methylphenoxy)boronic acid
CID 142726725
[2-(2-chlorophenoxy)-5-fluorophenyl]methanamine
CID 43314193
[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]methanamine
CID 43589964
[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methanamine
CID 43314141

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-fluorophenoxy]boronic acid?
The IUPAC name of [2-(aminomethyl)-4-fluorophenoxy]boronic acid (CID 151062156) is [2-(aminomethyl)-4-fluorophenoxy]boronic acid.
What is the SMILES notation for [2-(aminomethyl)-4-fluorophenoxy]boronic acid?
The canonical SMILES for [2-(aminomethyl)-4-fluorophenoxy]boronic acid is NCc1cc(F)ccc1OB(O)O.
What is the InChIKey of [2-(aminomethyl)-4-fluorophenoxy]boronic acid?
The InChIKey is MGJXPHRWQVVCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BFNO3/c9-6-1-2-7(13-8(11)12)5(3-6)4-10/h1-3,11-12H,4,10H2.
What are the key properties of [2-(aminomethyl)-4-fluorophenoxy]boronic acid?
[2-(aminomethyl)-4-fluorophenoxy]boronic acid has a molecular weight of 184.96 g/mol, XLogP of -0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-fluorophenoxy]boronic acid is sourced from PubChem (CID 151062156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).