1-(2,3-dihydrofuran-5-yl)-2-(2,2,2-trifluoroethylamino)ethanone

C₈H₁₀F₃NO₂ — CID 102652538

About 1-(2,3-dihydrofuran-5-yl)-2-(2,2,2-trifluoroethylamino)ethanone

1-(2,3-dihydrofuran-5-yl)-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 102652538) has the molecular formula C₈H₁₀F₃NO₂ and a molecular weight of 209.17 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

• Compound Name: 1-(2,3-dihydrofuran-5-yl)-2-(2,2,2-trifluoroethylamino)ethanone
• PubChem CID: 102652538
• Molecular Formula: C₈H₁₀F₃NO₂
• Molecular Weight: 209.17 g/mol
• Exact Mass: 209.07
• IUPAC Name: 1-(2,3-dihydrofuran-5-yl)-2-(2,2,2-trifluoroethylamino)ethanone
• SMILES: O=C(CNCC(F)(F)F)C1=CCCO1
• InChI: InChI=1S/C8H10F3NO2/c9-8(10,11)5-12-4-6(13)7-2-1-3-14-7/h2,12H,1,3-5H2
• InChIKey: VXQMRPXKVBIYPM-UHFFFAOYSA-N
• XLogP: 1.01
• TPSA: 38.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	209.17
LogP ≤ 5	1.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-(2,2,2-trifluoroethylamino)ethanone?

The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-(2,2,2-trifluoroethylamino)ethanone (CID 102652538) is 1-(2,3-dihydrofuran-5-yl)-2-(2,2,2-trifluoroethylamino)ethanone.

What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-2-(2,2,2-trifluoroethylamino)ethanone?

The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-2-(2,2,2-trifluoroethylamino)ethanone is O=C(CNCC(F)(F)F)C1=CCCO1.

What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-2-(2,2,2-trifluoroethylamino)ethanone?

The InChIKey is VXQMRPXKVBIYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO2/c9-8(10,11)5-12-4-6(13)7-2-1-3-14-7/h2,12H,1,3-5H2.

What are the key properties of 1-(2,3-dihydrofuran-5-yl)-2-(2,2,2-trifluoroethylamino)ethanone?

1-(2,3-dihydrofuran-5-yl)-2-(2,2,2-trifluoroethylamino)ethanone has a molecular weight of 209.17 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydrofuran-5-yl)-2-(2,2,2-trifluoroethylamino)ethanone is sourced from PubChem (CID 102652538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 102652538 — identifiers, structure, computed properties (public domain)

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