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

C8H4F2O3 — CID 145459265

IUPAC3,4-bis(1-fluoroethenyl)furan-2,5-dione
SMILESC=C(F)C1=C(C(=C)F)C(=O)OC1=O
InChIInChI=1S/C8H4F2O3/c1-3(9)5-6(4(2)10)8(12)13-7(5)11/h1-2H2
InChIKeyLQVVRDDWWBNYBZ-UHFFFAOYSA-N
MW186.11 g/mol
LogP1.33
Rot. Bonds2

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

3,4-bis(1-fluoroethenyl)furan-2,5-dione (PubChem CID 145459265) has the molecular formula C8H4F2O3 and a molecular weight of 186.11 g/mol. Its IUPAC name is 3,4-bis(1-fluoroethenyl)furan-2,5-dione.

Molecular Properties

Compound Name3,4-bis(1-fluoroethenyl)furan-2,5-dione
PubChem CID145459265
Molecular FormulaC8H4F2O3
Molecular Weight186.11 g/mol
Exact Mass186.01
IUPAC Name3,4-bis(1-fluoroethenyl)furan-2,5-dione
SMILESC=C(F)C1=C(C(=C)F)C(=O)OC1=O
InChIInChI=1S/C8H4F2O3/c1-3(9)5-6(4(2)10)8(12)13-7(5)11/h1-2H2
InChIKeyLQVVRDDWWBNYBZ-UHFFFAOYSA-N
XLogP1.33
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.11
LogP ≤ 51.33
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 3,4-bis(1-fluoroethenyl)furan-2,5-dione?
The IUPAC name of 3,4-bis(1-fluoroethenyl)furan-2,5-dione (CID 145459265) is 3,4-bis(1-fluoroethenyl)furan-2,5-dione.
What is the SMILES notation for 3,4-bis(1-fluoroethenyl)furan-2,5-dione?
The canonical SMILES for 3,4-bis(1-fluoroethenyl)furan-2,5-dione is C=C(F)C1=C(C(=C)F)C(=O)OC1=O.
What is the InChIKey of 3,4-bis(1-fluoroethenyl)furan-2,5-dione?
The InChIKey is LQVVRDDWWBNYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F2O3/c1-3(9)5-6(4(2)10)8(12)13-7(5)11/h1-2H2.
What are the key properties of 3,4-bis(1-fluoroethenyl)furan-2,5-dione?
3,4-bis(1-fluoroethenyl)furan-2,5-dione has a molecular weight of 186.11 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(1-fluoroethenyl)furan-2,5-dione is sourced from PubChem (CID 145459265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).