3-ethenyl-4-(1-fluoroethenyl)furan-2,5-dione

C8H5FO3 — CID 142361740

IUPAC3-ethenyl-4-(1-fluoroethenyl)furan-2,5-dione
SMILESC=CC1=C(C(=C)F)C(=O)OC1=O
InChIInChI=1S/C8H5FO3/c1-3-5-6(4(2)9)8(11)12-7(5)10/h3H,1-2H2
InChIKeyDGCHGDBYRIUUSS-UHFFFAOYSA-N
MW168.12 g/mol
LogP1.04
Rot. Bonds2

About 3-ethenyl-4-(1-fluoroethenyl)furan-2,5-dione

3-ethenyl-4-(1-fluoroethenyl)furan-2,5-dione (PubChem CID 142361740) has the molecular formula C8H5FO3 and a molecular weight of 168.12 g/mol. Its IUPAC name is 3-ethenyl-4-(1-fluoroethenyl)furan-2,5-dione.

Molecular Properties

Compound Name3-ethenyl-4-(1-fluoroethenyl)furan-2,5-dione
PubChem CID142361740
Molecular FormulaC8H5FO3
Molecular Weight168.12 g/mol
Exact Mass168.02
IUPAC Name3-ethenyl-4-(1-fluoroethenyl)furan-2,5-dione
SMILESC=CC1=C(C(=C)F)C(=O)OC1=O
InChIInChI=1S/C8H5FO3/c1-3-5-6(4(2)9)8(11)12-7(5)10/h3H,1-2H2
InChIKeyDGCHGDBYRIUUSS-UHFFFAOYSA-N
XLogP1.04
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.12
LogP ≤ 51.04
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-ethenyl-4-(1-fluoroethenyl)furan-2,5-dione?
The IUPAC name of 3-ethenyl-4-(1-fluoroethenyl)furan-2,5-dione (CID 142361740) is 3-ethenyl-4-(1-fluoroethenyl)furan-2,5-dione.
What is the SMILES notation for 3-ethenyl-4-(1-fluoroethenyl)furan-2,5-dione?
The canonical SMILES for 3-ethenyl-4-(1-fluoroethenyl)furan-2,5-dione is C=CC1=C(C(=C)F)C(=O)OC1=O.
What is the InChIKey of 3-ethenyl-4-(1-fluoroethenyl)furan-2,5-dione?
The InChIKey is DGCHGDBYRIUUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FO3/c1-3-5-6(4(2)9)8(11)12-7(5)10/h3H,1-2H2.
What are the key properties of 3-ethenyl-4-(1-fluoroethenyl)furan-2,5-dione?
3-ethenyl-4-(1-fluoroethenyl)furan-2,5-dione has a molecular weight of 168.12 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4-(1-fluoroethenyl)furan-2,5-dione is sourced from PubChem (CID 142361740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).