O-[(3-amino-4-fluorophenyl)methyl]hydroxylamine

C7H9FN2O — CID 117111164

IUPACO-[(3-amino-4-fluorophenyl)methyl]hydroxylamine
SMILESNOCc1ccc(F)c(N)c1
InChIInChI=1S/C7H9FN2O/c8-6-2-1-5(4-11-10)3-7(6)9/h1-3H,4,9-10H2
InChIKeyLZFBYLNXPOIODD-UHFFFAOYSA-N
MW156.16 g/mol
LogP0.80
Rot. Bonds2

About O-[(3-amino-4-fluorophenyl)methyl]hydroxylamine

O-[(3-amino-4-fluorophenyl)methyl]hydroxylamine (PubChem CID 117111164) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is O-[(3-amino-4-fluorophenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(3-amino-4-fluorophenyl)methyl]hydroxylamine
PubChem CID117111164
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC NameO-[(3-amino-4-fluorophenyl)methyl]hydroxylamine
SMILESNOCc1ccc(F)c(N)c1
InChIInChI=1S/C7H9FN2O/c8-6-2-1-5(4-11-10)3-7(6)9/h1-3H,4,9-10H2
InChIKeyLZFBYLNXPOIODD-UHFFFAOYSA-N
XLogP0.80
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-[(3-amino-4-fluorophenyl)methyl]hydroxylamine?
The IUPAC name of O-[(3-amino-4-fluorophenyl)methyl]hydroxylamine (CID 117111164) is O-[(3-amino-4-fluorophenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(3-amino-4-fluorophenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(3-amino-4-fluorophenyl)methyl]hydroxylamine is NOCc1ccc(F)c(N)c1.
What is the InChIKey of O-[(3-amino-4-fluorophenyl)methyl]hydroxylamine?
The InChIKey is LZFBYLNXPOIODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O/c8-6-2-1-5(4-11-10)3-7(6)9/h1-3H,4,9-10H2.
What are the key properties of O-[(3-amino-4-fluorophenyl)methyl]hydroxylamine?
O-[(3-amino-4-fluorophenyl)methyl]hydroxylamine has a molecular weight of 156.16 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(3-amino-4-fluorophenyl)methyl]hydroxylamine is sourced from PubChem (CID 117111164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).