N-[(2,4-difluorophenyl)methylidene]hydroxylamine

C7H5F2NO — CID 53395027

IUPACN-[(2,4-difluorophenyl)methylidene]hydroxylamine
SMILESON=Cc1ccc(F)cc1F
InChIInChI=1S/C7H5F2NO/c8-6-2-1-5(4-10-11)7(9)3-6/h1-4,11H
InChIKeySVCQIVUYSQKNAZ-UHFFFAOYSA-N
MW157.12 g/mol
LogP1.77
Rot. Bonds1

About N-[(2,4-difluorophenyl)methylidene]hydroxylamine

N-[(2,4-difluorophenyl)methylidene]hydroxylamine (PubChem CID 53395027) has the molecular formula C7H5F2NO and a molecular weight of 157.12 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methylidene]hydroxylamine
PubChem CID53395027
Molecular FormulaC7H5F2NO
Molecular Weight157.12 g/mol
Exact Mass157.03
IUPAC NameN-[(2,4-difluorophenyl)methylidene]hydroxylamine
SMILESON=Cc1ccc(F)cc1F
InChIInChI=1S/C7H5F2NO/c8-6-2-1-5(4-10-11)7(9)3-6/h1-4,11H
InChIKeySVCQIVUYSQKNAZ-UHFFFAOYSA-N
XLogP1.77
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.12
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(2,4-difluorophenyl)methylidene]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 N-[(2,4-difluorophenyl)methylidene]hydroxylamine?
The IUPAC name of N-[(2,4-difluorophenyl)methylidene]hydroxylamine (CID 53395027) is N-[(2,4-difluorophenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(2,4-difluorophenyl)methylidene]hydroxylamine is ON=Cc1ccc(F)cc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)methylidene]hydroxylamine?
The InChIKey is SVCQIVUYSQKNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NO/c8-6-2-1-5(4-10-11)7(9)3-6/h1-4,11H.
What are the key properties of N-[(2,4-difluorophenyl)methylidene]hydroxylamine?
N-[(2,4-difluorophenyl)methylidene]hydroxylamine has a molecular weight of 157.12 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methylidene]hydroxylamine is sourced from PubChem (CID 53395027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).