1-[(1R)-3-fluoro-1-(3,4,5-trifluorophenyl)propyl]piperazine

C₁₃H₁₆F₄N₂ — CID 171170267

About 1-[(1R)-3-fluoro-1-(3,4,5-trifluorophenyl)propyl]piperazine

1-[(1R)-3-fluoro-1-(3,4,5-trifluorophenyl)propyl]piperazine (PubChem CID 171170267) has the molecular formula C₁₃H₁₆F₄N₂ and a molecular weight of 276.28 g/mol. Its IUPAC name is 1-[(1R)-3-fluoro-1-(3,4,5-trifluorophenyl)propyl]piperazine.

Molecular Properties

• Compound Name: 1-[(1R)-3-fluoro-1-(3,4,5-trifluorophenyl)propyl]piperazine
• PubChem CID: 171170267
• Molecular Formula: C₁₃H₁₆F₄N₂
• Molecular Weight: 276.28 g/mol
• Exact Mass: 276.12
• IUPAC Name: 1-[(1R)-3-fluoro-1-(3,4,5-trifluorophenyl)propyl]piperazine
• SMILES: FCC[C@H](c1cc(F)c(F)c(F)c1)N1CCNCC1
• InChI: InChI=1S/C13H16F4N2/c14-2-1-12(19-5-3-18-4-6-19)9-7-10(15)13(17)11(16)8-9/h7-8,12,18H,1-6H2/t12-/m1/s1
• InChIKey: ZBSCEZFHCGXYQW-GFCCVEGCSA-N
• XLogP: 2.41
• TPSA: 15.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	276.28
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-fluoro-1-(3,4,5-trifluorophenyl)propyl]piperazine?

The IUPAC name of 1-[(1R)-3-fluoro-1-(3,4,5-trifluorophenyl)propyl]piperazine (CID 171170267) is 1-[(1R)-3-fluoro-1-(3,4,5-trifluorophenyl)propyl]piperazine.

What is the SMILES notation for 1-[(1R)-3-fluoro-1-(3,4,5-trifluorophenyl)propyl]piperazine?

The canonical SMILES for 1-[(1R)-3-fluoro-1-(3,4,5-trifluorophenyl)propyl]piperazine is FCC[C@H](c1cc(F)c(F)c(F)c1)N1CCNCC1.

What is the InChIKey of 1-[(1R)-3-fluoro-1-(3,4,5-trifluorophenyl)propyl]piperazine?

The InChIKey is ZBSCEZFHCGXYQW-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16F4N2/c14-2-1-12(19-5-3-18-4-6-19)9-7-10(15)13(17)11(16)8-9/h7-8,12,18H,1-6H2/t12-/m1/s1.

What are the key properties of 1-[(1R)-3-fluoro-1-(3,4,5-trifluorophenyl)propyl]piperazine?

1-[(1R)-3-fluoro-1-(3,4,5-trifluorophenyl)propyl]piperazine has a molecular weight of 276.28 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1R)-3-fluoro-1-(3,4,5-trifluorophenyl)propyl]piperazine is sourced from PubChem (CID 171170267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171170267 — identifiers, structure, computed properties (public domain)

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