N-(2-chloro-4,5-difluorophenyl)hydroxylamine

C6H4ClF2NO — CID 130873686

IUPACN-(2-chloro-4,5-difluorophenyl)hydroxylamine
SMILESONc1cc(F)c(F)cc1Cl
InChIInChI=1S/C6H4ClF2NO/c7-3-1-4(8)5(9)2-6(3)10-11/h1-2,10-11H
InChIKeyDIEJQOLYLKOWOD-UHFFFAOYSA-N
MW179.55 g/mol
LogP2.42
Rot. Bonds1

About N-(2-chloro-4,5-difluorophenyl)hydroxylamine

N-(2-chloro-4,5-difluorophenyl)hydroxylamine (PubChem CID 130873686) has the molecular formula C6H4ClF2NO and a molecular weight of 179.55 g/mol. Its IUPAC name is N-(2-chloro-4,5-difluorophenyl)hydroxylamine.

Molecular Properties

Compound NameN-(2-chloro-4,5-difluorophenyl)hydroxylamine
PubChem CID130873686
Molecular FormulaC6H4ClF2NO
Molecular Weight179.55 g/mol
Exact Mass178.99
IUPAC NameN-(2-chloro-4,5-difluorophenyl)hydroxylamine
SMILESONc1cc(F)c(F)cc1Cl
InChIInChI=1S/C6H4ClF2NO/c7-3-1-4(8)5(9)2-6(3)10-11/h1-2,10-11H
InChIKeyDIEJQOLYLKOWOD-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.55
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,5-difluorophenyl)hydroxylamine?
The IUPAC name of N-(2-chloro-4,5-difluorophenyl)hydroxylamine (CID 130873686) is N-(2-chloro-4,5-difluorophenyl)hydroxylamine.
What is the SMILES notation for N-(2-chloro-4,5-difluorophenyl)hydroxylamine?
The canonical SMILES for N-(2-chloro-4,5-difluorophenyl)hydroxylamine is ONc1cc(F)c(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4,5-difluorophenyl)hydroxylamine?
The InChIKey is DIEJQOLYLKOWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF2NO/c7-3-1-4(8)5(9)2-6(3)10-11/h1-2,10-11H.
What are the key properties of N-(2-chloro-4,5-difluorophenyl)hydroxylamine?
N-(2-chloro-4,5-difluorophenyl)hydroxylamine has a molecular weight of 179.55 g/mol, XLogP of 2.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,5-difluorophenyl)hydroxylamine is sourced from PubChem (CID 130873686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).