(1R)-1-[5-(2,2,2-trifluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine

C₉H₁₃F₃N₂O — CID 146538107

About (1R)-1-[5-(2,2,2-trifluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine

(1R)-1-[5-(2,2,2-trifluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine (PubChem CID 146538107) has the molecular formula C₉H₁₃F₃N₂O and a molecular weight of 222.21 g/mol. Its IUPAC name is (1R)-1-[5-(2,2,2-trifluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine.

Molecular Properties

• Compound Name: (1R)-1-[5-(2,2,2-trifluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine
• PubChem CID: 146538107
• Molecular Formula: C₉H₁₃F₃N₂O
• Molecular Weight: 222.21 g/mol
• Exact Mass: 222.10
• IUPAC Name: (1R)-1-[5-(2,2,2-trifluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine
• SMILES: C[C@@H](N)C1C=CC(OCC(F)(F)F)=CN1
• InChI: InChI=1S/C9H13F3N2O/c1-6(13)8-3-2-7(4-14-8)15-5-9(10,11)12/h2-4,6,8,14H,5,13H2,1H3/t6-,8?/m1/s1
• InChIKey: DVJMKKFYQVAUHP-XPJFZRNWSA-N
• XLogP: 1.28
• TPSA: 47.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	222.21
LogP ≤ 5	1.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(2,2,2-trifluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine?

The IUPAC name of (1R)-1-[5-(2,2,2-trifluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine (CID 146538107) is (1R)-1-[5-(2,2,2-trifluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine.

What is the SMILES notation for (1R)-1-[5-(2,2,2-trifluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine?

The canonical SMILES for (1R)-1-[5-(2,2,2-trifluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine is C[C@@H](N)C1C=CC(OCC(F)(F)F)=CN1.

What is the InChIKey of (1R)-1-[5-(2,2,2-trifluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine?

The InChIKey is DVJMKKFYQVAUHP-XPJFZRNWSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-6(13)8-3-2-7(4-14-8)15-5-9(10,11)12/h2-4,6,8,14H,5,13H2,1H3/t6-,8?/m1/s1.

What are the key properties of (1R)-1-[5-(2,2,2-trifluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine?

(1R)-1-[5-(2,2,2-trifluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine has a molecular weight of 222.21 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-[5-(2,2,2-trifluoroethoxy)-1,2-dihydropyridin-2-yl]ethanamine is sourced from PubChem (CID 146538107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 146538107 — identifiers, structure, computed properties (public domain)

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