2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-5-carbaldehyde

C₈H₇F₄NO₂S — CID 103475980

About 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-5-carbaldehyde

2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-5-carbaldehyde (PubChem CID 103475980) has the molecular formula C₈H₇F₄NO₂S and a molecular weight of 257.21 g/mol. Its IUPAC name is 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

• Compound Name: 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-5-carbaldehyde
• PubChem CID: 103475980
• Molecular Formula: C₈H₇F₄NO₂S
• Molecular Weight: 257.21 g/mol
• Exact Mass: 257.01
• IUPAC Name: 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-5-carbaldehyde
• SMILES: O=Cc1cnc(COCC(F)(F)C(F)F)s1
• InChI: InChI=1S/C8H7F4NO2S/c9-7(10)8(11,12)4-15-3-6-13-1-5(2-14)16-6/h1-2,7H,3-4H2
• InChIKey: WXYSWPSKOMLOJT-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 39.19 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	257.21
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-5-carbaldehyde?

The IUPAC name of 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-5-carbaldehyde (CID 103475980) is 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-5-carbaldehyde.

What is the SMILES notation for 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-5-carbaldehyde?

The canonical SMILES for 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-5-carbaldehyde is O=Cc1cnc(COCC(F)(F)C(F)F)s1.

What is the InChIKey of 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-5-carbaldehyde?

The InChIKey is WXYSWPSKOMLOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4NO2S/c9-7(10)8(11,12)4-15-3-6-13-1-5(2-14)16-6/h1-2,7H,3-4H2.

What are the key properties of 2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-5-carbaldehyde?

2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 257.21 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 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-thiazole-5-carbaldehyde is sourced from PubChem (CID 103475980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 103475980 — identifiers, structure, computed properties (public domain)

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