O-(3-chloro-5-fluorophenyl)hydroxylamine

C6H5ClFNO — CID 162421873

IUPACO-(3-chloro-5-fluorophenyl)hydroxylamine
SMILESNOc1cc(F)cc(Cl)c1
InChIInChI=1S/C6H5ClFNO/c7-4-1-5(8)3-6(2-4)10-9/h1-3H,9H2
InChIKeyFFBSXLLPXZWLAM-UHFFFAOYSA-N
MW161.56 g/mol
LogP1.73
Rot. Bonds1

About O-(3-chloro-5-fluorophenyl)hydroxylamine

O-(3-chloro-5-fluorophenyl)hydroxylamine (PubChem CID 162421873) has the molecular formula C6H5ClFNO and a molecular weight of 161.56 g/mol. Its IUPAC name is O-(3-chloro-5-fluorophenyl)hydroxylamine.

Molecular Properties

Compound NameO-(3-chloro-5-fluorophenyl)hydroxylamine
PubChem CID162421873
Molecular FormulaC6H5ClFNO
Molecular Weight161.56 g/mol
Exact Mass161.00
IUPAC NameO-(3-chloro-5-fluorophenyl)hydroxylamine
SMILESNOc1cc(F)cc(Cl)c1
InChIInChI=1S/C6H5ClFNO/c7-4-1-5(8)3-6(2-4)10-9/h1-3H,9H2
InChIKeyFFBSXLLPXZWLAM-UHFFFAOYSA-N
XLogP1.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.56
LogP ≤ 51.73
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-chloro-5-fluorophenyl)hydroxylamine 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-chloro-3,5-difluorobenzene
CID 159732874
4-(3-chloro-5-fluorophenoxy)aniline
CID 67236679
O-(3-bromo-5-fluorophenyl)hydroxylamine;hydrochloride
CID 162421956
O-[3-fluoro-5-(trifluoromethyl)phenyl]hydroxylamine
CID 162421856
1-chloro-3-fluoro-5-pentan-3-yloxybenzene
CID 166779713
2-(3-chloro-5-fluorophenoxy)acetic acid
CID 23273755
O-[2-(3-chloro-5-fluorophenyl)ethyl]hydroxylamine
CID 117281688
3-[(3-chloro-5-fluorophenoxy)methyl]azetidine
CID 154815248
3-(3-chloro-5-fluorophenoxy)propane-1-sulfonyl chloride
CID 165499047
O-(3-fluorophenyl)hydroxylamine;propane
CID 23134075
[(2S,3R)-3-(3-chloro-5-fluorophenoxy)butan-2-yl] (2S)-2-aminopropanoate;hydrochloride
CID 162307370
3-[(3-chloro-5-fluorophenoxy)methyl]azetidine;hydrochloride
CID 171700439

Frequently Asked Questions

What is the IUPAC name of O-(3-chloro-5-fluorophenyl)hydroxylamine?
The IUPAC name of O-(3-chloro-5-fluorophenyl)hydroxylamine (CID 162421873) is O-(3-chloro-5-fluorophenyl)hydroxylamine.
What is the SMILES notation for O-(3-chloro-5-fluorophenyl)hydroxylamine?
The canonical SMILES for O-(3-chloro-5-fluorophenyl)hydroxylamine is NOc1cc(F)cc(Cl)c1.
What is the InChIKey of O-(3-chloro-5-fluorophenyl)hydroxylamine?
The InChIKey is FFBSXLLPXZWLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClFNO/c7-4-1-5(8)3-6(2-4)10-9/h1-3H,9H2.
What are the key properties of O-(3-chloro-5-fluorophenyl)hydroxylamine?
O-(3-chloro-5-fluorophenyl)hydroxylamine has a molecular weight of 161.56 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-(3-chloro-5-fluorophenyl)hydroxylamine is sourced from PubChem (CID 162421873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).