Teriflunomide

C₁₂H₉F₃N₂O₂ — CID 54684141

About Teriflunomide

Teriflunomide (PubChem CID 54684141) has the molecular formula C₁₂H₉F₃N₂O₂ and a molecular weight of 270.21 g/mol. Its IUPAC name is (Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide.

Molecular Properties

• Compound Name: Teriflunomide
• PubChem CID: 54684141
• Molecular Formula: C₁₂H₉F₃N₂O₂
• Molecular Weight: 270.21 g/mol
• Exact Mass: 270.06
• IUPAC Name: (Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide
• SMILES: C/C(O)=C(\C#N)C(=O)Nc1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,18H,1H3,(H,17,19)/b10-7-
• InChIKey: UTNUDOFZCWSZMS-YFHOEESVSA-N
• XLogP: 3.00
• TPSA: 73.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	270.21
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Teriflunomide?

The IUPAC name of Teriflunomide (CID 54684141) is (Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide.

What is the SMILES notation for Teriflunomide?

The canonical SMILES for Teriflunomide is C/C(O)=C(\C#N)C(=O)Nc1ccc(C(F)(F)F)cc1.

What is the InChIKey of Teriflunomide?

The InChIKey is UTNUDOFZCWSZMS-YFHOEESVSA-N. The full InChI is InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,18H,1H3,(H,17,19)/b10-7-.

What are the key properties of Teriflunomide?

Teriflunomide has a molecular weight of 270.21 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Teriflunomide is sourced from PubChem (CID 54684141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 54684141 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 4634 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.