Doxifluridine

C₉H₁₁FN₂O₅ — CID 18343

About Doxifluridine

Doxifluridine (PubChem CID 18343) has the molecular formula C₉H₁₁FN₂O₅ and a molecular weight of 246.19 g/mol. Its IUPAC name is 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

• Compound Name: Doxifluridine
• PubChem CID: 18343
• Molecular Formula: C₉H₁₁FN₂O₅
• Molecular Weight: 246.19 g/mol
• Exact Mass: 246.07
• IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione
• SMILES: C[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)/t3-,5-,6-,8-/m1/s1
• InChIKey: ZWAOHEXOSAUJHY-ZIYNGMLESA-N
• XLogP: -1.69
• TPSA: 104.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 1
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	246.19
LogP ≤ 5	-1.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of Doxifluridine?

The IUPAC name of Doxifluridine (CID 18343) is 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione.

What is the SMILES notation for Doxifluridine?

The canonical SMILES for Doxifluridine is C[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O.

What is the InChIKey of Doxifluridine?

The InChIKey is ZWAOHEXOSAUJHY-ZIYNGMLESA-N. The full InChI is InChI=1S/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)/t3-,5-,6-,8-/m1/s1.

What are the key properties of Doxifluridine?

Doxifluridine has a molecular weight of 246.19 g/mol, XLogP of -1.69, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Doxifluridine is sourced from PubChem (CID 18343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 18343 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 958 — approved-drug record (CC BY-SA 4.0)

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