N-(5-chloro-2-fluorophenyl)hydroxylamine

C6H5ClFNO — CID 156796645

IUPACN-(5-chloro-2-fluorophenyl)hydroxylamine
SMILESONc1cc(Cl)ccc1F
InChIInChI=1S/C6H5ClFNO/c7-4-1-2-5(8)6(3-4)9-10/h1-3,9-10H
InChIKeyHXOOCGCIGYLWEC-UHFFFAOYSA-N
MW161.56 g/mol
LogP2.28
Rot. Bonds1

About N-(5-chloro-2-fluorophenyl)hydroxylamine

N-(5-chloro-2-fluorophenyl)hydroxylamine (PubChem CID 156796645) has the molecular formula C6H5ClFNO and a molecular weight of 161.56 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)hydroxylamine.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)hydroxylamine
PubChem CID156796645
Molecular FormulaC6H5ClFNO
Molecular Weight161.56 g/mol
Exact Mass161.00
IUPAC NameN-(5-chloro-2-fluorophenyl)hydroxylamine
SMILESONc1cc(Cl)ccc1F
InChIInChI=1S/C6H5ClFNO/c7-4-1-2-5(8)6(3-4)9-10/h1-3,9-10H
InChIKeyHXOOCGCIGYLWEC-UHFFFAOYSA-N
XLogP2.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.56
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(5-chloro-2-fluoroanilino)-2-methylbutan-2-ol
CID 65333189
2-(5-chloro-2-fluoroanilino)-2-oxoacetic acid
CID 43444985
methyl N-(5-chloro-2-fluorophenyl)carbamate
CID 110778567
2,2-dichloro-N-(5-chloro-2-fluorophenyl)acetamide
CID 44519506
N-(5-chloro-2-fluorophenyl)-2-hydroxyacetamide
CID 16769009
N-(2-bromoprop-2-enyl)-5-chloro-2-fluoroaniline
CID 60873202
3-(5-chloro-2-fluorophenyl)-1,1-dimethylurea
CID 112684763
4-chloro-1-fluoro-2-(sulfamoylamino)benzene
CID 112573776
4-[(5-chloro-2-fluoroanilino)methyl]phenol
CID 43438420
methyl 2-(5-chloro-2-fluoroanilino)-2-oxoacetate
CID 112616665
N-(5-chloro-2-fluorophenyl)-3-hydroxypropanamide
CID 115138756
N-(5-chloro-2-fluorophenyl)-4-fluorobenzamide
CID 2664585

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)hydroxylamine?
The IUPAC name of N-(5-chloro-2-fluorophenyl)hydroxylamine (CID 156796645) is N-(5-chloro-2-fluorophenyl)hydroxylamine.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)hydroxylamine?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)hydroxylamine is ONc1cc(Cl)ccc1F.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)hydroxylamine?
The InChIKey is HXOOCGCIGYLWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClFNO/c7-4-1-2-5(8)6(3-4)9-10/h1-3,9-10H.
What are the key properties of N-(5-chloro-2-fluorophenyl)hydroxylamine?
N-(5-chloro-2-fluorophenyl)hydroxylamine has a molecular weight of 161.56 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)hydroxylamine is sourced from PubChem (CID 156796645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).