Ciprofibrate

C₁₃H₁₄Cl₂O₃ — CID 2763

About Ciprofibrate

Ciprofibrate (PubChem CID 2763) has the molecular formula C₁₃H₁₄Cl₂O₃ and a molecular weight of 289.16 g/mol. Its IUPAC name is 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoic acid.

Molecular Properties

• Compound Name: Ciprofibrate
• PubChem CID: 2763
• Molecular Formula: C₁₃H₁₄Cl₂O₃
• Molecular Weight: 289.16 g/mol
• Exact Mass: 288.03
• IUPAC Name: 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoic acid
• SMILES: CC(C)(Oc1ccc(C2CC2(Cl)Cl)cc1)C(=O)O
• InChI: InChI=1S/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17)
• InChIKey: KPSRODZRAIWAKH-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 46.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	289.16
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Ciprofibrate?

The IUPAC name of Ciprofibrate (CID 2763) is 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoic acid.

What is the SMILES notation for Ciprofibrate?

The canonical SMILES for Ciprofibrate is CC(C)(Oc1ccc(C2CC2(Cl)Cl)cc1)C(=O)O.

What is the InChIKey of Ciprofibrate?

The InChIKey is KPSRODZRAIWAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17).

What are the key properties of Ciprofibrate?

Ciprofibrate has a molecular weight of 289.16 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Ciprofibrate is sourced from PubChem (CID 2763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2763 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 658 — approved-drug record (CC BY-SA 4.0)

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