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

C₉H₁₀F₅NO₂S — CID 106782917

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

3-(2,2-difluoroethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol (PubChem CID 106782917) has the molecular formula C₉H₁₀F₅NO₂S and a molecular weight of 291.24 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol.

Molecular Properties

• Compound Name: 3-(2,2-difluoroethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol
• PubChem CID: 106782917
• Molecular Formula: C₉H₁₀F₅NO₂S
• Molecular Weight: 291.24 g/mol
• Exact Mass: 291.04
• IUPAC Name: 3-(2,2-difluoroethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol
• SMILES: OC(CCOCC(F)F)c1cnc(C(F)(F)F)s1
• InChI: InChI=1S/C9H10F5NO2S/c10-7(11)4-17-2-1-5(16)6-3-15-8(18-6)9(12,13)14/h3,5,7,16H,1-2,4H2
• InChIKey: DEPKMVKAUYJWBA-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 42.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	291.24
LogP ≤ 5	2.87
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-(2,2-difluoroethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol?

The IUPAC name of 3-(2,2-difluoroethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol (CID 106782917) is 3-(2,2-difluoroethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol.

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

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

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

The InChIKey is DEPKMVKAUYJWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F5NO2S/c10-7(11)4-17-2-1-5(16)6-3-15-8(18-6)9(12,13)14/h3,5,7,16H,1-2,4H2.

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

3-(2,2-difluoroethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol has a molecular weight of 291.24 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,2-difluoroethoxy)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol is sourced from PubChem (CID 106782917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 106782917 — identifiers, structure, computed properties (public domain)

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