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

C₉H₁₁F₄NO₂S — CID 103476127

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

1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethanol (PubChem CID 103476127) has the molecular formula C₉H₁₁F₄NO₂S and a molecular weight of 273.25 g/mol. Its IUPAC name is 1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

• Compound Name: 1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethanol
• PubChem CID: 103476127
• Molecular Formula: C₉H₁₁F₄NO₂S
• Molecular Weight: 273.25 g/mol
• Exact Mass: 273.04
• IUPAC Name: 1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethanol
• SMILES: CC(O)c1cnc(COCC(F)(F)C(F)F)s1
• InChI: InChI=1S/C9H11F4NO2S/c1-5(15)6-2-14-7(17-6)3-16-4-9(12,13)8(10)11/h2,5,8,15H,3-4H2,1H3
• InChIKey: SBXVCEQVFUMBHO-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 42.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	273.25
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethanol?

The IUPAC name of 1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethanol (CID 103476127) is 1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethanol.

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

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

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

The InChIKey is SBXVCEQVFUMBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F4NO2S/c1-5(15)6-2-14-7(17-6)3-16-4-9(12,13)8(10)11/h2,5,8,15H,3-4H2,1H3.

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

1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethanol has a molecular weight of 273.25 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 103476127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 103476127 — identifiers, structure, computed properties (public domain)

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