Trifluridine

C₁₀H₁₁F₃N₂O₅ — CID 6256

About Trifluridine

Trifluridine (PubChem CID 6256) has the molecular formula C₁₀H₁₁F₃N₂O₅ and a molecular weight of 296.20 g/mol. Its IUPAC name is 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: Trifluridine
• PubChem CID: 6256
• Molecular Formula: C₁₀H₁₁F₃N₂O₅
• Molecular Weight: 296.20 g/mol
• Exact Mass: 296.06
• IUPAC Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione
• SMILES: O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C(F)(F)F
• InChI: InChI=1S/C10H11F3N2O5/c11-10(12,13)4-2-15(9(19)14-8(4)18)7-1-5(17)6(3-16)20-7/h2,5-7,16-17H,1,3H2,(H,14,18,19)/t5-,6+,7+/m0/s1
• InChIKey: VSQQQLOSPVPRAZ-RRKCRQDMSA-N
• XLogP: -0.80
• TPSA: 104.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	296.20
LogP ≤ 5	-0.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of Trifluridine?

The IUPAC name of Trifluridine (CID 6256) is 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione.

What is the SMILES notation for Trifluridine?

The canonical SMILES for Trifluridine is O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C(F)(F)F.

What is the InChIKey of Trifluridine?

The InChIKey is VSQQQLOSPVPRAZ-RRKCRQDMSA-N. The full InChI is InChI=1S/C10H11F3N2O5/c11-10(12,13)4-2-15(9(19)14-8(4)18)7-1-5(17)6(3-16)20-7/h2,5-7,16-17H,1,3H2,(H,14,18,19)/t5-,6+,7+/m0/s1.

What are the key properties of Trifluridine?

Trifluridine has a molecular weight of 296.20 g/mol, XLogP of -0.80, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Trifluridine is sourced from PubChem (CID 6256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6256 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2743 — approved-drug record (CC BY-SA 4.0)

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