2-fluoro-5-nitrofuran

C4H2FNO3 — CID 89360561

IUPAC2-fluoro-5-nitrofuran
SMILESO=[N+]([O-])c1ccc(F)o1
InChIInChI=1S/C4H2FNO3/c5-3-1-2-4(9-3)6(7)8/h1-2H
InChIKeyILVGGYJZPIROQI-UHFFFAOYSA-N
MW131.06 g/mol
LogP1.33
Rot. Bonds1

About 2-fluoro-5-nitrofuran

2-fluoro-5-nitrofuran (PubChem CID 89360561) has the molecular formula C4H2FNO3 and a molecular weight of 131.06 g/mol. Its IUPAC name is 2-fluoro-5-nitrofuran.

Molecular Properties

Compound Name2-fluoro-5-nitrofuran
PubChem CID89360561
Molecular FormulaC4H2FNO3
Molecular Weight131.06 g/mol
Exact Mass131.00
IUPAC Name2-fluoro-5-nitrofuran
SMILESO=[N+]([O-])c1ccc(F)o1
InChIInChI=1S/C4H2FNO3/c5-3-1-2-4(9-3)6(7)8/h1-2H
InChIKeyILVGGYJZPIROQI-UHFFFAOYSA-N
XLogP1.33
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.06
LogP ≤ 51.33
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-nitrofuran?
The IUPAC name of 2-fluoro-5-nitrofuran (CID 89360561) is 2-fluoro-5-nitrofuran.
What is the SMILES notation for 2-fluoro-5-nitrofuran?
The canonical SMILES for 2-fluoro-5-nitrofuran is O=[N+]([O-])c1ccc(F)o1.
What is the InChIKey of 2-fluoro-5-nitrofuran?
The InChIKey is ILVGGYJZPIROQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2FNO3/c5-3-1-2-4(9-3)6(7)8/h1-2H.
What are the key properties of 2-fluoro-5-nitrofuran?
2-fluoro-5-nitrofuran has a molecular weight of 131.06 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-nitrofuran is sourced from PubChem (CID 89360561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).