[3-(aminomethyl)-5-fluorophenoxy]boronic acid

C7H9BFNO3 — CID 151788480

IUPAC[3-(aminomethyl)-5-fluorophenoxy]boronic acid
SMILESNCc1cc(F)cc(OB(O)O)c1
InChIInChI=1S/C7H9BFNO3/c9-6-1-5(4-10)2-7(3-6)13-8(11)12/h1-3,11-12H,4,10H2
InChIKeyRWCOZUYYSNIOLN-UHFFFAOYSA-N
MW184.96 g/mol
LogP-0.37
Rot. Bonds3

About [3-(aminomethyl)-5-fluorophenoxy]boronic acid

[3-(aminomethyl)-5-fluorophenoxy]boronic acid (PubChem CID 151788480) has the molecular formula C7H9BFNO3 and a molecular weight of 184.96 g/mol. Its IUPAC name is [3-(aminomethyl)-5-fluorophenoxy]boronic acid.

Molecular Properties

Compound Name[3-(aminomethyl)-5-fluorophenoxy]boronic acid
PubChem CID151788480
Molecular FormulaC7H9BFNO3
Molecular Weight184.96 g/mol
Exact Mass185.07
IUPAC Name[3-(aminomethyl)-5-fluorophenoxy]boronic acid
SMILESNCc1cc(F)cc(OB(O)O)c1
InChIInChI=1S/C7H9BFNO3/c9-6-1-5(4-10)2-7(3-6)13-8(11)12/h1-3,11-12H,4,10H2
InChIKeyRWCOZUYYSNIOLN-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

[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]methanamine
CID 102814557
[3-bromo-5-(3-bromo-5-fluorophenoxy)phenyl]methanamine
CID 102814717
[3-(2,2-difluoropropoxy)-5-fluorophenyl]methanamine
CID 164885137
(3-cyano-5-fluorophenoxy)boronic acid
CID 142793268
[3-(4-bromo-2,5-dichlorophenoxy)-5-fluorophenyl]methanamine
CID 107655084
[3-fluoro-5-(2,2,2-trifluoroethoxymethoxy)phenyl]methanamine
CID 106704805
[3-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]methanamine
CID 106531191
2-[2-[3-(aminomethyl)-5-fluorophenoxy]phenyl]ethanol
CID 107711745
2-[3-[3-(aminomethyl)-5-fluorophenoxy]phenyl]acetic acid
CID 140512656
[3-(2,2-difluoro-2-phenylethoxy)-5-fluorophenyl]methanamine
CID 116788616
[3-fluoro-5-(phenylmethoxymethoxy)phenyl]methanamine
CID 102939558
[2-(aminomethyl)-4-fluorophenoxy]boronic acid
CID 151062156

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-5-fluorophenoxy]boronic acid?
The IUPAC name of [3-(aminomethyl)-5-fluorophenoxy]boronic acid (CID 151788480) is [3-(aminomethyl)-5-fluorophenoxy]boronic acid.
What is the SMILES notation for [3-(aminomethyl)-5-fluorophenoxy]boronic acid?
The canonical SMILES for [3-(aminomethyl)-5-fluorophenoxy]boronic acid is NCc1cc(F)cc(OB(O)O)c1.
What is the InChIKey of [3-(aminomethyl)-5-fluorophenoxy]boronic acid?
The InChIKey is RWCOZUYYSNIOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BFNO3/c9-6-1-5(4-10)2-7(3-6)13-8(11)12/h1-3,11-12H,4,10H2.
What are the key properties of [3-(aminomethyl)-5-fluorophenoxy]boronic acid?
[3-(aminomethyl)-5-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 [3-(aminomethyl)-5-fluorophenoxy]boronic acid is sourced from PubChem (CID 151788480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).