O-(3,5-difluorophenyl)hydroxylamine

C6H5F2NO — CID 15326531

IUPACO-(3,5-difluorophenyl)hydroxylamine
SMILESNOc1cc(F)cc(F)c1
InChIInChI=1S/C6H5F2NO/c7-4-1-5(8)3-6(2-4)10-9/h1-3H,9H2
InChIKeyFYHDFVFGTSGPDX-UHFFFAOYSA-N
MW145.11 g/mol
LogP1.22
Rot. Bonds1

About O-(3,5-difluorophenyl)hydroxylamine

O-(3,5-difluorophenyl)hydroxylamine (PubChem CID 15326531) has the molecular formula C6H5F2NO and a molecular weight of 145.11 g/mol. Its IUPAC name is O-(3,5-difluorophenyl)hydroxylamine.

Molecular Properties

Compound NameO-(3,5-difluorophenyl)hydroxylamine
PubChem CID15326531
Molecular FormulaC6H5F2NO
Molecular Weight145.11 g/mol
Exact Mass145.03
IUPAC NameO-(3,5-difluorophenyl)hydroxylamine
SMILESNOc1cc(F)cc(F)c1
InChIInChI=1S/C6H5F2NO/c7-4-1-5(8)3-6(2-4)10-9/h1-3H,9H2
InChIKeyFYHDFVFGTSGPDX-UHFFFAOYSA-N
XLogP1.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze O-(3,5-difluorophenyl)hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of O-(3,5-difluorophenyl)hydroxylamine?
The IUPAC name of O-(3,5-difluorophenyl)hydroxylamine (CID 15326531) is O-(3,5-difluorophenyl)hydroxylamine.
What is the SMILES notation for O-(3,5-difluorophenyl)hydroxylamine?
The canonical SMILES for O-(3,5-difluorophenyl)hydroxylamine is NOc1cc(F)cc(F)c1.
What is the InChIKey of O-(3,5-difluorophenyl)hydroxylamine?
The InChIKey is FYHDFVFGTSGPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NO/c7-4-1-5(8)3-6(2-4)10-9/h1-3H,9H2.
What are the key properties of O-(3,5-difluorophenyl)hydroxylamine?
O-(3,5-difluorophenyl)hydroxylamine has a molecular weight of 145.11 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-(3,5-difluorophenyl)hydroxylamine is sourced from PubChem (CID 15326531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).