Eflornithine

C₆H₁₂F₂N₂O₂ — CID 3009

About Eflornithine

Eflornithine (PubChem CID 3009) has the molecular formula C₆H₁₂F₂N₂O₂ and a molecular weight of 182.17 g/mol. Its IUPAC name is 2,5-diamino-2-(difluoromethyl)pentanoic acid.

Molecular Properties

• Compound Name: Eflornithine
• PubChem CID: 3009
• Molecular Formula: C₆H₁₂F₂N₂O₂
• Molecular Weight: 182.17 g/mol
• Exact Mass: 182.09
• IUPAC Name: 2,5-diamino-2-(difluoromethyl)pentanoic acid
• SMILES: NCCCC(N)(C(=O)O)C(F)F
• InChI: InChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12)
• InChIKey: VLCYCQAOQCDTCN-UHFFFAOYSA-N
• XLogP: -0.23
• TPSA: 89.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	182.17
LogP ≤ 5	-0.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Eflornithine?

The IUPAC name of Eflornithine (CID 3009) is 2,5-diamino-2-(difluoromethyl)pentanoic acid.

What is the SMILES notation for Eflornithine?

The canonical SMILES for Eflornithine is NCCCC(N)(C(=O)O)C(F)F.

What is the InChIKey of Eflornithine?

The InChIKey is VLCYCQAOQCDTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12).

What are the key properties of Eflornithine?

Eflornithine has a molecular weight of 182.17 g/mol, XLogP of -0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Eflornithine is sourced from PubChem (CID 3009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3009 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 990 — approved-drug record (CC BY-SA 4.0)

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