O-[2-(4-fluorophenoxy)ethyl]hydroxylamine;hydrochloride

C8H11ClFNO2 — CID 45158554

IUPACO-[2-(4-fluorophenoxy)ethyl]hydroxylamine;hydrochloride
SMILESCl.NOCCOc1ccc(F)cc1
InChIInChI=1S/C8H10FNO2.ClH/c9-7-1-3-8(4-2-7)11-5-6-12-10;/h1-4H,5-6,10H2;1H
InChIKeyZPGWQKGNTKXDKQ-UHFFFAOYSA-N
MW207.63 g/mol
LogP1.52
Rot. Bonds4

About O-[2-(4-fluorophenoxy)ethyl]hydroxylamine;hydrochloride

O-[2-(4-fluorophenoxy)ethyl]hydroxylamine;hydrochloride (PubChem CID 45158554) has the molecular formula C8H11ClFNO2 and a molecular weight of 207.63 g/mol. Its IUPAC name is O-[2-(4-fluorophenoxy)ethyl]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameO-[2-(4-fluorophenoxy)ethyl]hydroxylamine;hydrochloride
PubChem CID45158554
Molecular FormulaC8H11ClFNO2
Molecular Weight207.63 g/mol
Exact Mass207.05
IUPAC NameO-[2-(4-fluorophenoxy)ethyl]hydroxylamine;hydrochloride
SMILESCl.NOCCOc1ccc(F)cc1
InChIInChI=1S/C8H10FNO2.ClH/c9-7-1-3-8(4-2-7)11-5-6-12-10;/h1-4H,5-6,10H2;1H
InChIKeyZPGWQKGNTKXDKQ-UHFFFAOYSA-N
XLogP1.52
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.63
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze O-[2-(4-fluorophenoxy)ethyl]hydroxylamine;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

1-fluoro-4-[2-(4-iodophenoxy)ethoxy]benzene
CID 141496951
2-[2-(4-fluorophenoxy)ethoxy]ethanamine
CID 28749658
3-(4-fluorophenoxy)propylazanium
CID 42036216
4-(4-fluorophenoxy)butanamide
CID 43244704
1-fluoro-4-[(4-fluorophenoxy)methoxymethoxy]benzene
CID 580551
1-fluoro-4-[2-(2-methylphenoxy)ethoxy]benzene
CID 59416560
3-(4-fluorophenoxy)propyl carbamate
CID 154235028
4-(4-fluorophenoxy)butanethioamide
CID 24702572
2-[4-(4-fluorophenyl)phenoxy]ethyloxidanium
CID 163801809
O-[2-(2-fluorophenoxy)ethyl]hydroxylamine
CID 11019312
N-chloro-2-(4-fluorophenoxy)ethanamine
CID 118373465
N-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]-2-methylpropan-2-amine
CID 40539155

Frequently Asked Questions

What is the IUPAC name of O-[2-(4-fluorophenoxy)ethyl]hydroxylamine;hydrochloride?
The IUPAC name of O-[2-(4-fluorophenoxy)ethyl]hydroxylamine;hydrochloride (CID 45158554) is O-[2-(4-fluorophenoxy)ethyl]hydroxylamine;hydrochloride.
What is the SMILES notation for O-[2-(4-fluorophenoxy)ethyl]hydroxylamine;hydrochloride?
The canonical SMILES for O-[2-(4-fluorophenoxy)ethyl]hydroxylamine;hydrochloride is Cl.NOCCOc1ccc(F)cc1.
What is the InChIKey of O-[2-(4-fluorophenoxy)ethyl]hydroxylamine;hydrochloride?
The InChIKey is ZPGWQKGNTKXDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2.ClH/c9-7-1-3-8(4-2-7)11-5-6-12-10;/h1-4H,5-6,10H2;1H.
What are the key properties of O-[2-(4-fluorophenoxy)ethyl]hydroxylamine;hydrochloride?
O-[2-(4-fluorophenoxy)ethyl]hydroxylamine;hydrochloride has a molecular weight of 207.63 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(4-fluorophenoxy)ethyl]hydroxylamine;hydrochloride is sourced from PubChem (CID 45158554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).