O-[2-(3-fluoro-4-methylsulfanylphenyl)ethyl]hydroxylamine

C9H12FNOS — CID 117290133

IUPACO-[2-(3-fluoro-4-methylsulfanylphenyl)ethyl]hydroxylamine
SMILESCSc1ccc(CCON)cc1F
InChIInChI=1S/C9H12FNOS/c1-13-9-3-2-7(4-5-12-11)6-8(9)10/h2-3,6H,4-5,11H2,1H3
InChIKeyFBXQUDOCACNZPB-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.98
Rot. Bonds4

About O-[2-(3-fluoro-4-methylsulfanylphenyl)ethyl]hydroxylamine

O-[2-(3-fluoro-4-methylsulfanylphenyl)ethyl]hydroxylamine (PubChem CID 117290133) has the molecular formula C9H12FNOS and a molecular weight of 201.27 g/mol. Its IUPAC name is O-[2-(3-fluoro-4-methylsulfanylphenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(3-fluoro-4-methylsulfanylphenyl)ethyl]hydroxylamine
PubChem CID117290133
Molecular FormulaC9H12FNOS
Molecular Weight201.27 g/mol
Exact Mass201.06
IUPAC NameO-[2-(3-fluoro-4-methylsulfanylphenyl)ethyl]hydroxylamine
SMILESCSc1ccc(CCON)cc1F
InChIInChI=1S/C9H12FNOS/c1-13-9-3-2-7(4-5-12-11)6-8(9)10/h2-3,6H,4-5,11H2,1H3
InChIKeyFBXQUDOCACNZPB-UHFFFAOYSA-N
XLogP1.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze O-[2-(3-fluoro-4-methylsulfanylphenyl)ethyl]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-[2-(3-fluoro-4-methylsulfanylphenyl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(3-fluoro-4-methylsulfanylphenyl)ethyl]hydroxylamine (CID 117290133) is O-[2-(3-fluoro-4-methylsulfanylphenyl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(3-fluoro-4-methylsulfanylphenyl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(3-fluoro-4-methylsulfanylphenyl)ethyl]hydroxylamine is CSc1ccc(CCON)cc1F.
What is the InChIKey of O-[2-(3-fluoro-4-methylsulfanylphenyl)ethyl]hydroxylamine?
The InChIKey is FBXQUDOCACNZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNOS/c1-13-9-3-2-7(4-5-12-11)6-8(9)10/h2-3,6H,4-5,11H2,1H3.
What are the key properties of O-[2-(3-fluoro-4-methylsulfanylphenyl)ethyl]hydroxylamine?
O-[2-(3-fluoro-4-methylsulfanylphenyl)ethyl]hydroxylamine has a molecular weight of 201.27 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(3-fluoro-4-methylsulfanylphenyl)ethyl]hydroxylamine is sourced from PubChem (CID 117290133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).