3,4-dideuteriofuran-2,5-dione

C4H2O3 — CID 13000553

IUPAC3,4-dideuteriofuran-2,5-dione
SMILES[2H]C1=C([2H])C(=O)OC1=O
InChIInChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H/i1D,2D
InChIKeyFPYJFEHAWHCUMM-QDNHWIQGSA-N
MW100.07 g/mol
LogP-0.37
Rot. Bonds

About 3,4-dideuteriofuran-2,5-dione

3,4-dideuteriofuran-2,5-dione (PubChem CID 13000553) has the molecular formula C4H2O3 and a molecular weight of 100.07 g/mol. Its IUPAC name is 3,4-dideuteriofuran-2,5-dione.

Molecular Properties

Compound Name3,4-dideuteriofuran-2,5-dione
PubChem CID13000553
Molecular FormulaC4H2O3
Molecular Weight100.07 g/mol
Exact Mass100.01
IUPAC Name3,4-dideuteriofuran-2,5-dione
SMILES[2H]C1=C([2H])C(=O)OC1=O
InChIInChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H/i1D,2D
InChIKeyFPYJFEHAWHCUMM-QDNHWIQGSA-N
XLogP-0.37
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.07
LogP ≤ 5-0.37
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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Related Compounds

Maleic Anhydride
CID 7923
2(5H)-Furanone
CID 10341
2,5-Furandione, polymer with 1,3-butadiene
CID 168405
Acrylic acid, polymer with maleic anhydride
CID 213542
(2-~13~C)Furan-2,5-dione
CID 71308941
2,5-Furandione-2,5-13C2
CID 87229156
Furan-2,5-dione--ethene (1/1)
CID 62700
Furan-2,5-dione;prop-1-ene
CID 168413
Ethene;furan-2,5-dione;prop-1-ene
CID 169247
beta-Fluorobutenolide
CID 11094551
2,5-Furandione, 3-fluoro-
CID 12206254
2-fluoro-2H-furan-5-one
CID 89449754

Frequently Asked Questions

What is the IUPAC name of 3,4-dideuteriofuran-2,5-dione?
The IUPAC name of 3,4-dideuteriofuran-2,5-dione (CID 13000553) is 3,4-dideuteriofuran-2,5-dione.
What is the SMILES notation for 3,4-dideuteriofuran-2,5-dione?
The canonical SMILES for 3,4-dideuteriofuran-2,5-dione is [2H]C1=C([2H])C(=O)OC1=O.
What is the InChIKey of 3,4-dideuteriofuran-2,5-dione?
The InChIKey is FPYJFEHAWHCUMM-QDNHWIQGSA-N. The full InChI is InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H/i1D,2D.
What are the key properties of 3,4-dideuteriofuran-2,5-dione?
3,4-dideuteriofuran-2,5-dione has a molecular weight of 100.07 g/mol, XLogP of -0.37, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dideuteriofuran-2,5-dione is sourced from PubChem (CID 13000553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).