N-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]hydroxylamine

C11H7F2NO2 — CID 2805777

IUPACN-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]hydroxylamine
SMILESON=Cc1ccc(-c2ccc(F)cc2F)o1
InChIInChI=1S/C11H7F2NO2/c12-7-1-3-9(10(13)5-7)11-4-2-8(16-11)6-14-15/h1-6,15H
InChIKeyPKVHSVXRAMXKCN-UHFFFAOYSA-N
MW223.18 g/mol
LogP3.03
Rot. Bonds2

About N-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]hydroxylamine

N-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]hydroxylamine (PubChem CID 2805777) has the molecular formula C11H7F2NO2 and a molecular weight of 223.18 g/mol. Its IUPAC name is N-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]hydroxylamine
PubChem CID2805777
Molecular FormulaC11H7F2NO2
Molecular Weight223.18 g/mol
Exact Mass223.04
IUPAC NameN-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]hydroxylamine
SMILESON=Cc1ccc(-c2ccc(F)cc2F)o1
InChIInChI=1S/C11H7F2NO2/c12-7-1-3-9(10(13)5-7)11-4-2-8(16-11)6-14-15/h1-6,15H
InChIKeyPKVHSVXRAMXKCN-UHFFFAOYSA-N
XLogP3.03
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[[5-(2,4-difluorophenyl)furan-2-yl]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-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]hydroxylamine?
The IUPAC name of N-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]hydroxylamine (CID 2805777) is N-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]hydroxylamine?
The canonical SMILES for N-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]hydroxylamine is ON=Cc1ccc(-c2ccc(F)cc2F)o1.
What is the InChIKey of N-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]hydroxylamine?
The InChIKey is PKVHSVXRAMXKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2NO2/c12-7-1-3-9(10(13)5-7)11-4-2-8(16-11)6-14-15/h1-6,15H.
What are the key properties of N-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]hydroxylamine?
N-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]hydroxylamine has a molecular weight of 223.18 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]hydroxylamine is sourced from PubChem (CID 2805777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).