N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide

C₁₂H₂₁F₃N₂O — CID 51080881

About N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide

N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide (PubChem CID 51080881) has the molecular formula C₁₂H₂₁F₃N₂O and a molecular weight of 266.31 g/mol. Its IUPAC name is N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide.

Molecular Properties

• Compound Name: N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide
• PubChem CID: 51080881
• Molecular Formula: C₁₂H₂₁F₃N₂O
• Molecular Weight: 266.31 g/mol
• Exact Mass: 266.16
• IUPAC Name: N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide
• SMILES: CN(CCCNC(=O)C1CCCC1)CC(F)(F)F
• InChI: InChI=1S/C12H21F3N2O/c1-17(9-12(13,14)15)8-4-7-16-11(18)10-5-2-3-6-10/h10H,2-9H2,1H3,(H,16,18)
• InChIKey: FUNVJBUEGKOBKP-UHFFFAOYSA-N
• XLogP: 2.18
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	266.31
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide?

The IUPAC name of N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide (CID 51080881) is N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide.

What is the SMILES notation for N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide?

The canonical SMILES for N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide is CN(CCCNC(=O)C1CCCC1)CC(F)(F)F.

What is the InChIKey of N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide?

The InChIKey is FUNVJBUEGKOBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-17(9-12(13,14)15)8-4-7-16-11(18)10-5-2-3-6-10/h10H,2-9H2,1H3,(H,16,18).

What are the key properties of N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide?

N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide has a molecular weight of 266.31 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide is sourced from PubChem (CID 51080881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 51080881 — identifiers, structure, computed properties (public domain)

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