3-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol

C₉H₁₂F₃NO₂S — CID 106786661

About 3-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol

3-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol (PubChem CID 106786661) has the molecular formula C₉H₁₂F₃NO₂S and a molecular weight of 255.26 g/mol. Its IUPAC name is 3-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol.

Molecular Properties

• Compound Name: 3-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol
• PubChem CID: 106786661
• Molecular Formula: C₉H₁₂F₃NO₂S
• Molecular Weight: 255.26 g/mol
• Exact Mass: 255.05
• IUPAC Name: 3-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol
• SMILES: CCOCCC(O)c1cnc(C(F)(F)F)s1
• InChI: InChI=1S/C9H12F3NO2S/c1-2-15-4-3-6(14)7-5-13-8(16-7)9(10,11)12/h5-6,14H,2-4H2,1H3
• InChIKey: DGIGNYNJPYPPOR-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 42.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	255.26
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol?

The IUPAC name of 3-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol (CID 106786661) is 3-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol.

What is the SMILES notation for 3-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol?

The canonical SMILES for 3-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol is CCOCCC(O)c1cnc(C(F)(F)F)s1.

What is the InChIKey of 3-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol?

The InChIKey is DGIGNYNJPYPPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO2S/c1-2-15-4-3-6(14)7-5-13-8(16-7)9(10,11)12/h5-6,14H,2-4H2,1H3.

What are the key properties of 3-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol?

3-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol has a molecular weight of 255.26 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol is sourced from PubChem (CID 106786661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 106786661 — identifiers, structure, computed properties (public domain)

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