fluoro 3-fluoro-2,4-dioxobut-3-enoate

C4F2O4 — CID 89240415

IUPACfluoro 3-fluoro-2,4-dioxobut-3-enoate
SMILESO=C=C(F)C(=O)C(=O)OF
InChIInChI=1S/C4F2O4/c5-2(1-7)3(8)4(9)10-6
InChIKeyAKWBPNQTOGSWMT-UHFFFAOYSA-N
MW150.04 g/mol
LogP-0.33
Rot. Bonds2

About fluoro 3-fluoro-2,4-dioxobut-3-enoate

fluoro 3-fluoro-2,4-dioxobut-3-enoate (PubChem CID 89240415) has the molecular formula C4F2O4 and a molecular weight of 150.04 g/mol. Its IUPAC name is fluoro 3-fluoro-2,4-dioxobut-3-enoate.

Molecular Properties

Compound Namefluoro 3-fluoro-2,4-dioxobut-3-enoate
PubChem CID89240415
Molecular FormulaC4F2O4
Molecular Weight150.04 g/mol
Exact Mass149.98
IUPAC Namefluoro 3-fluoro-2,4-dioxobut-3-enoate
SMILESO=C=C(F)C(=O)C(=O)OF
InChIInChI=1S/C4F2O4/c5-2(1-7)3(8)4(9)10-6
InChIKeyAKWBPNQTOGSWMT-UHFFFAOYSA-N
XLogP-0.33
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.04
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'ketene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of fluoro 3-fluoro-2,4-dioxobut-3-enoate?
The IUPAC name of fluoro 3-fluoro-2,4-dioxobut-3-enoate (CID 89240415) is fluoro 3-fluoro-2,4-dioxobut-3-enoate.
What is the SMILES notation for fluoro 3-fluoro-2,4-dioxobut-3-enoate?
The canonical SMILES for fluoro 3-fluoro-2,4-dioxobut-3-enoate is O=C=C(F)C(=O)C(=O)OF.
What is the InChIKey of fluoro 3-fluoro-2,4-dioxobut-3-enoate?
The InChIKey is AKWBPNQTOGSWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F2O4/c5-2(1-7)3(8)4(9)10-6.
What are the key properties of fluoro 3-fluoro-2,4-dioxobut-3-enoate?
fluoro 3-fluoro-2,4-dioxobut-3-enoate has a molecular weight of 150.04 g/mol, XLogP of -0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 3-fluoro-2,4-dioxobut-3-enoate is sourced from PubChem (CID 89240415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).