5-aminooxy-2-fluorophenol

C6H6FNO2 — CID 142901822

IUPAC5-aminooxy-2-fluorophenol
SMILESNOc1ccc(F)c(O)c1
InChIInChI=1S/C6H6FNO2/c7-5-2-1-4(10-8)3-6(5)9/h1-3,9H,8H2
InChIKeyRPQOYKKNHWBLQG-UHFFFAOYSA-N
MW143.12 g/mol
LogP0.78
Rot. Bonds1

About 5-aminooxy-2-fluorophenol

5-aminooxy-2-fluorophenol (PubChem CID 142901822) has the molecular formula C6H6FNO2 and a molecular weight of 143.12 g/mol. Its IUPAC name is 5-aminooxy-2-fluorophenol.

Molecular Properties

Compound Name5-aminooxy-2-fluorophenol
PubChem CID142901822
Molecular FormulaC6H6FNO2
Molecular Weight143.12 g/mol
Exact Mass143.04
IUPAC Name5-aminooxy-2-fluorophenol
SMILESNOc1ccc(F)c(O)c1
InChIInChI=1S/C6H6FNO2/c7-5-2-1-4(10-8)3-6(5)9/h1-3,9H,8H2
InChIKeyRPQOYKKNHWBLQG-UHFFFAOYSA-N
XLogP0.78
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.12
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-aminooxy-2-fluorophenol?
The IUPAC name of 5-aminooxy-2-fluorophenol (CID 142901822) is 5-aminooxy-2-fluorophenol.
What is the SMILES notation for 5-aminooxy-2-fluorophenol?
The canonical SMILES for 5-aminooxy-2-fluorophenol is NOc1ccc(F)c(O)c1.
What is the InChIKey of 5-aminooxy-2-fluorophenol?
The InChIKey is RPQOYKKNHWBLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO2/c7-5-2-1-4(10-8)3-6(5)9/h1-3,9H,8H2.
What are the key properties of 5-aminooxy-2-fluorophenol?
5-aminooxy-2-fluorophenol has a molecular weight of 143.12 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminooxy-2-fluorophenol is sourced from PubChem (CID 142901822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).