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

C₈H₉F₄NO₂S — CID 103476999

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

[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 103476999) has the molecular formula C₈H₉F₄NO₂S and a molecular weight of 259.22 g/mol. Its IUPAC name is [2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

• Compound Name: [2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanol
• PubChem CID: 103476999
• Molecular Formula: C₈H₉F₄NO₂S
• Molecular Weight: 259.22 g/mol
• Exact Mass: 259.03
• IUPAC Name: [2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanol
• SMILES: OCc1cnc(COCC(F)(F)C(F)F)s1
• InChI: InChI=1S/C8H9F4NO2S/c9-7(10)8(11,12)4-15-3-6-13-1-5(2-14)16-6/h1,7,14H,2-4H2
• InChIKey: GGYVNTATODZKQH-UHFFFAOYSA-N
• XLogP: 2.05
• TPSA: 42.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	259.22
LogP ≤ 5	2.05
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 [2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanol?

The IUPAC name of [2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanol (CID 103476999) is [2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanol.

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

The canonical SMILES for [2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanol is OCc1cnc(COCC(F)(F)C(F)F)s1.

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

The InChIKey is GGYVNTATODZKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F4NO2S/c9-7(10)8(11,12)4-15-3-6-13-1-5(2-14)16-6/h1,7,14H,2-4H2.

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

[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 259.22 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 103476999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 103476999 — identifiers, structure, computed properties (public domain)

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