DYKNRGBHKWIPIB-UHFFFAOYSA-N

C₉H₁₃F₃O₂ — CID 150116824

About DYKNRGBHKWIPIB-UHFFFAOYSA-N

DYKNRGBHKWIPIB-UHFFFAOYSA-N (PubChem CID 150116824) has the molecular formula C₉H₁₃F₃O₂ and a molecular weight of 210.19 g/mol. Its IUPAC name is 3-(2-prop-1-enoxyethyl)-2-(trifluoromethyl)oxetane.

Molecular Properties

• Compound Name: DYKNRGBHKWIPIB-UHFFFAOYSA-N
• PubChem CID: 150116824
• Molecular Formula: C₉H₁₃F₃O₂
• Molecular Weight: 210.19 g/mol
• Exact Mass: 210.09
• IUPAC Name: 3-(2-prop-1-enoxyethyl)-2-(trifluoromethyl)oxetane
• SMILES: CC=COCCC1COC1C(F)(F)F
• InChI: InChI=1S/C9H13F3O2/c1-2-4-13-5-3-7-6-14-8(7)9(10,11)12/h2,4,7-8H,3,5-6H2,1H3
• InChIKey: DYKNRGBHKWIPIB-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	210.19
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of DYKNRGBHKWIPIB-UHFFFAOYSA-N?

The IUPAC name of DYKNRGBHKWIPIB-UHFFFAOYSA-N (CID 150116824) is 3-(2-prop-1-enoxyethyl)-2-(trifluoromethyl)oxetane.

What is the SMILES notation for DYKNRGBHKWIPIB-UHFFFAOYSA-N?

The canonical SMILES for DYKNRGBHKWIPIB-UHFFFAOYSA-N is CC=COCCC1COC1C(F)(F)F.

What is the InChIKey of DYKNRGBHKWIPIB-UHFFFAOYSA-N?

The InChIKey is DYKNRGBHKWIPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O2/c1-2-4-13-5-3-7-6-14-8(7)9(10,11)12/h2,4,7-8H,3,5-6H2,1H3.

What are the key properties of DYKNRGBHKWIPIB-UHFFFAOYSA-N?

DYKNRGBHKWIPIB-UHFFFAOYSA-N has a molecular weight of 210.19 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for DYKNRGBHKWIPIB-UHFFFAOYSA-N is sourced from PubChem (CID 150116824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 150116824 — identifiers, structure, computed properties (public domain)

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