2-(2-fluorophenyl)-5-[(E)-2-nitroprop-1-enyl]furan

C13H10FNO3 — CID 55016309

IUPAC2-(2-fluorophenyl)-5-[(E)-2-nitroprop-1-enyl]furan
SMILESC/C(=C\c1ccc(-c2ccccc2F)o1)[N+](=O)[O-]
InChIInChI=1S/C13H10FNO3/c1-9(15(16)17)8-10-6-7-13(18-10)11-4-2-3-5-12(11)14/h2-8H,1H3/b9-8+
InChIKeyKXHNLBUXNXXWHY-CMDGGOBGSA-N
MW247.23 g/mol
LogP3.72
Rot. Bonds3

About 2-(2-fluorophenyl)-5-[(E)-2-nitroprop-1-enyl]furan

2-(2-fluorophenyl)-5-[(E)-2-nitroprop-1-enyl]furan (PubChem CID 55016309) has the molecular formula C13H10FNO3 and a molecular weight of 247.23 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-[(E)-2-nitroprop-1-enyl]furan.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-[(E)-2-nitroprop-1-enyl]furan
PubChem CID55016309
Molecular FormulaC13H10FNO3
Molecular Weight247.23 g/mol
Exact Mass247.06
IUPAC Name2-(2-fluorophenyl)-5-[(E)-2-nitroprop-1-enyl]furan
SMILESC/C(=C\c1ccc(-c2ccccc2F)o1)[N+](=O)[O-]
InChIInChI=1S/C13H10FNO3/c1-9(15(16)17)8-10-6-7-13(18-10)11-4-2-3-5-12(11)14/h2-8H,1H3/b9-8+
InChIKeyKXHNLBUXNXXWHY-CMDGGOBGSA-N
XLogP3.72
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-fluorophenyl)-5-[(E)-2-nitroprop-1-enyl]furan 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-(2-fluorophenyl)-5-[(E)-2-nitroprop-1-enyl]furan?
The IUPAC name of 2-(2-fluorophenyl)-5-[(E)-2-nitroprop-1-enyl]furan (CID 55016309) is 2-(2-fluorophenyl)-5-[(E)-2-nitroprop-1-enyl]furan.
What is the SMILES notation for 2-(2-fluorophenyl)-5-[(E)-2-nitroprop-1-enyl]furan?
The canonical SMILES for 2-(2-fluorophenyl)-5-[(E)-2-nitroprop-1-enyl]furan is C/C(=C\c1ccc(-c2ccccc2F)o1)[N+](=O)[O-].
What is the InChIKey of 2-(2-fluorophenyl)-5-[(E)-2-nitroprop-1-enyl]furan?
The InChIKey is KXHNLBUXNXXWHY-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H10FNO3/c1-9(15(16)17)8-10-6-7-13(18-10)11-4-2-3-5-12(11)14/h2-8H,1H3/b9-8+.
What are the key properties of 2-(2-fluorophenyl)-5-[(E)-2-nitroprop-1-enyl]furan?
2-(2-fluorophenyl)-5-[(E)-2-nitroprop-1-enyl]furan has a molecular weight of 247.23 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-[(E)-2-nitroprop-1-enyl]furan is sourced from PubChem (CID 55016309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).