3-(1-fluoroethenyl)furan-2,5-dione

C6H3FO3 — CID 174998539

IUPAC3-(1-fluoroethenyl)furan-2,5-dione
SMILESC=C(F)C1=CC(=O)OC1=O
InChIInChI=1S/C6H3FO3/c1-3(7)4-2-5(8)10-6(4)9/h2H,1H2
InChIKeyONVBDCWZMKCPCA-UHFFFAOYSA-N
MW142.08 g/mol
LogP0.48
Rot. Bonds1

About 3-(1-fluoroethenyl)furan-2,5-dione

3-(1-fluoroethenyl)furan-2,5-dione (PubChem CID 174998539) has the molecular formula C6H3FO3 and a molecular weight of 142.08 g/mol. Its IUPAC name is 3-(1-fluoroethenyl)furan-2,5-dione.

Molecular Properties

Compound Name3-(1-fluoroethenyl)furan-2,5-dione
PubChem CID174998539
Molecular FormulaC6H3FO3
Molecular Weight142.08 g/mol
Exact Mass142.01
IUPAC Name3-(1-fluoroethenyl)furan-2,5-dione
SMILESC=C(F)C1=CC(=O)OC1=O
InChIInChI=1S/C6H3FO3/c1-3(7)4-2-5(8)10-6(4)9/h2H,1H2
InChIKeyONVBDCWZMKCPCA-UHFFFAOYSA-N
XLogP0.48
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.08
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoroethenyl)furan-2,5-dione?
The IUPAC name of 3-(1-fluoroethenyl)furan-2,5-dione (CID 174998539) is 3-(1-fluoroethenyl)furan-2,5-dione.
What is the SMILES notation for 3-(1-fluoroethenyl)furan-2,5-dione?
The canonical SMILES for 3-(1-fluoroethenyl)furan-2,5-dione is C=C(F)C1=CC(=O)OC1=O.
What is the InChIKey of 3-(1-fluoroethenyl)furan-2,5-dione?
The InChIKey is ONVBDCWZMKCPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3FO3/c1-3(7)4-2-5(8)10-6(4)9/h2H,1H2.
What are the key properties of 3-(1-fluoroethenyl)furan-2,5-dione?
3-(1-fluoroethenyl)furan-2,5-dione has a molecular weight of 142.08 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoroethenyl)furan-2,5-dione is sourced from PubChem (CID 174998539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).