2-(1-prop-1-enoxyethyl)-4-(trifluoromethyl)oxetane

C₉H₁₃F₃O₂ — CID 151780996

About 2-(1-prop-1-enoxyethyl)-4-(trifluoromethyl)oxetane

2-(1-prop-1-enoxyethyl)-4-(trifluoromethyl)oxetane (PubChem CID 151780996) has the molecular formula C₉H₁₃F₃O₂ and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-(1-prop-1-enoxyethyl)-4-(trifluoromethyl)oxetane.

Molecular Properties

• Compound Name: 2-(1-prop-1-enoxyethyl)-4-(trifluoromethyl)oxetane
• PubChem CID: 151780996
• Molecular Formula: C₉H₁₃F₃O₂
• Molecular Weight: 210.19 g/mol
• Exact Mass: 210.09
• IUPAC Name: 2-(1-prop-1-enoxyethyl)-4-(trifluoromethyl)oxetane
• SMILES: CC=COC(C)C1CC(C(F)(F)F)O1
• InChI: InChI=1S/C9H13F3O2/c1-3-4-13-6(2)7-5-8(14-7)9(10,11)12/h3-4,6-8H,5H2,1-2H3
• InChIKey: RUPDMELEQHELDO-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	210.19
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(1-prop-1-enoxyethyl)-4-(trifluoromethyl)oxetane?

The IUPAC name of 2-(1-prop-1-enoxyethyl)-4-(trifluoromethyl)oxetane (CID 151780996) is 2-(1-prop-1-enoxyethyl)-4-(trifluoromethyl)oxetane.

What is the SMILES notation for 2-(1-prop-1-enoxyethyl)-4-(trifluoromethyl)oxetane?

The canonical SMILES for 2-(1-prop-1-enoxyethyl)-4-(trifluoromethyl)oxetane is CC=COC(C)C1CC(C(F)(F)F)O1.

What is the InChIKey of 2-(1-prop-1-enoxyethyl)-4-(trifluoromethyl)oxetane?

The InChIKey is RUPDMELEQHELDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O2/c1-3-4-13-6(2)7-5-8(14-7)9(10,11)12/h3-4,6-8H,5H2,1-2H3.

What are the key properties of 2-(1-prop-1-enoxyethyl)-4-(trifluoromethyl)oxetane?

2-(1-prop-1-enoxyethyl)-4-(trifluoromethyl)oxetane has a molecular weight of 210.19 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-prop-1-enoxyethyl)-4-(trifluoromethyl)oxetane is sourced from PubChem (CID 151780996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151780996 — identifiers, structure, computed properties (public domain)

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