(2-amino-5-fluorophenoxy)boronic acid

C6H7BFNO3 — CID 142800926

IUPAC(2-amino-5-fluorophenoxy)boronic acid
SMILESNc1ccc(F)cc1OB(O)O
InChIInChI=1S/C6H7BFNO3/c8-4-1-2-5(9)6(3-4)12-7(10)11/h1-3,10-11H,9H2
InChIKeyVQDTVNCTAGIOAQ-UHFFFAOYSA-N
MW170.94 g/mol
LogP-0.24
Rot. Bonds2

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

(2-amino-5-fluorophenoxy)boronic acid (PubChem CID 142800926) has the molecular formula C6H7BFNO3 and a molecular weight of 170.94 g/mol. Its IUPAC name is (2-amino-5-fluorophenoxy)boronic acid.

Molecular Properties

Compound Name(2-amino-5-fluorophenoxy)boronic acid
PubChem CID142800926
Molecular FormulaC6H7BFNO3
Molecular Weight170.94 g/mol
Exact Mass171.05
IUPAC Name(2-amino-5-fluorophenoxy)boronic acid
SMILESNc1ccc(F)cc1OB(O)O
InChIInChI=1S/C6H7BFNO3/c8-4-1-2-5(9)6(3-4)12-7(10)11/h1-3,10-11H,9H2
InChIKeyVQDTVNCTAGIOAQ-UHFFFAOYSA-N
XLogP-0.24
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.94
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-fluoro-2-methylphenoxy)boronic acid
CID 142726725
(5-fluoro-2-methylsulfanylphenoxy)boronic acid
CID 142789183
(4-fluoro-2-methylphenoxy)boronic acid
CID 14579594
[2-(aminomethyl)-4-fluorophenoxy]boronic acid
CID 151062156
2-(2-amino-5-fluorophenoxy)propane-1,3-diol
CID 117095564
(2-amino-5-fluorophenyl) 2-hydroxyacetate
CID 117095582
(2,3,4-triaminophenoxy)boronic acid;hydrochloride
CID 175086767
2-(1,3-difluoropropan-2-yloxy)-4-fluoroaniline
CID 58413286
1-(2-amino-5-fluorophenoxy)-2-methylpropan-2-ol
CID 67395856
(2-fluorophenoxy)boronic acid
CID 22237831
(4-fluoro-2-methoxycarbonylphenoxy)boronic acid
CID 142792846
4-fluoro-2-[(Z)-4-methylpent-2-en-3-yl]oxyaniline
CID 139377476

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-fluorophenoxy)boronic acid?
The IUPAC name of (2-amino-5-fluorophenoxy)boronic acid (CID 142800926) is (2-amino-5-fluorophenoxy)boronic acid.
What is the SMILES notation for (2-amino-5-fluorophenoxy)boronic acid?
The canonical SMILES for (2-amino-5-fluorophenoxy)boronic acid is Nc1ccc(F)cc1OB(O)O.
What is the InChIKey of (2-amino-5-fluorophenoxy)boronic acid?
The InChIKey is VQDTVNCTAGIOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BFNO3/c8-4-1-2-5(9)6(3-4)12-7(10)11/h1-3,10-11H,9H2.
What are the key properties of (2-amino-5-fluorophenoxy)boronic acid?
(2-amino-5-fluorophenoxy)boronic acid has a molecular weight of 170.94 g/mol, XLogP of -0.24, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-fluorophenoxy)boronic acid is sourced from PubChem (CID 142800926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).