2-(dichloromethyl)-5-nitrofuran

C5H3Cl2NO3 — CID 1380736

IUPAC2-(dichloromethyl)-5-nitrofuran
SMILESO=[N+]([O-])c1ccc(C(Cl)Cl)o1
InChIInChI=1S/C5H3Cl2NO3/c6-5(7)3-1-2-4(11-3)8(9)10/h1-2,5H
InChIKeyGRGKIYSTQUOXBB-UHFFFAOYSA-N
MW195.99 g/mol
LogP2.66
Rot. Bonds2

About 2-(dichloromethyl)-5-nitrofuran

2-(dichloromethyl)-5-nitrofuran (PubChem CID 1380736) has the molecular formula C5H3Cl2NO3 and a molecular weight of 195.99 g/mol. Its IUPAC name is 2-(dichloromethyl)-5-nitrofuran.

Molecular Properties

Compound Name2-(dichloromethyl)-5-nitrofuran
PubChem CID1380736
Molecular FormulaC5H3Cl2NO3
Molecular Weight195.99 g/mol
Exact Mass194.95
IUPAC Name2-(dichloromethyl)-5-nitrofuran
SMILESO=[N+]([O-])c1ccc(C(Cl)Cl)o1
InChIInChI=1S/C5H3Cl2NO3/c6-5(7)3-1-2-4(11-3)8(9)10/h1-2,5H
InChIKeyGRGKIYSTQUOXBB-UHFFFAOYSA-N
XLogP2.66
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.99
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(dichloromethyl)-5-nitrofuran 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 2-(dichloromethyl)-5-nitrofuran?
The IUPAC name of 2-(dichloromethyl)-5-nitrofuran (CID 1380736) is 2-(dichloromethyl)-5-nitrofuran.
What is the SMILES notation for 2-(dichloromethyl)-5-nitrofuran?
The canonical SMILES for 2-(dichloromethyl)-5-nitrofuran is O=[N+]([O-])c1ccc(C(Cl)Cl)o1.
What is the InChIKey of 2-(dichloromethyl)-5-nitrofuran?
The InChIKey is GRGKIYSTQUOXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl2NO3/c6-5(7)3-1-2-4(11-3)8(9)10/h1-2,5H.
What are the key properties of 2-(dichloromethyl)-5-nitrofuran?
2-(dichloromethyl)-5-nitrofuran has a molecular weight of 195.99 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dichloromethyl)-5-nitrofuran is sourced from PubChem (CID 1380736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).