1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanol

C₉H₁₂F₃NO₂S — CID 103150219

About 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanol

1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanol (PubChem CID 103150219) has the molecular formula C₉H₁₂F₃NO₂S and a molecular weight of 255.26 g/mol. Its IUPAC name is 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanol.

Molecular Properties

• Compound Name: 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanol
• PubChem CID: 103150219
• Molecular Formula: C₉H₁₂F₃NO₂S
• Molecular Weight: 255.26 g/mol
• Exact Mass: 255.05
• IUPAC Name: 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanol
• SMILES: CC(O)c1cnc(CCOCC(F)(F)F)s1
• InChI: InChI=1S/C9H12F3NO2S/c1-6(14)7-4-13-8(16-7)2-3-15-5-9(10,11)12/h4,6,14H,2-3,5H2,1H3
• InChIKey: AYKKMBSWIRBJKJ-UHFFFAOYSA-N
• XLogP: 2.32
• 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	2.32
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 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanol?

The IUPAC name of 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanol (CID 103150219) is 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanol.

What is the SMILES notation for 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanol?

The canonical SMILES for 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanol is CC(O)c1cnc(CCOCC(F)(F)F)s1.

What is the InChIKey of 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanol?

The InChIKey is AYKKMBSWIRBJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO2S/c1-6(14)7-4-13-8(16-7)2-3-15-5-9(10,11)12/h4,6,14H,2-3,5H2,1H3.

What are the key properties of 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanol?

1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanol has a molecular weight of 255.26 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 103150219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 103150219 — identifiers, structure, computed properties (public domain)

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