Diethyl 2-methyl-2-(4,4,4-trifluorobutyl)propanedioate

CAS No.：

Cat. No.: SC25874

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Product Name :Diethyl 2-methyl-2-(4,4,4-trifluorobutyl)propanedioate

Cat. No.: :SC25874

Purity / Specification :—

CAS No. :1917016-84-2

MDL No. :—

Molecular Formula :C₁₂H₁₉F₃O₄

LogP :—

Molecular Weight :284.27

TPSA :—

Category :Building Blocks

HSN Code :—

SMILES Code :CC(C(=O)OCC)(C(=O)OCC)CCCC(F)(F)F

Melting Point :—

InChI Key : :—

Boiling Point :No data available

Application Note

AI Generated

Generated by AI. Verify before use in regulatory documents.

Lipinski & ADMET Properties

Computational estimate

Lipinski Rule of 5

✗ FAIL

MW ≤ 500 Da✓ 284.3 Da

LogP ≤ 5— N/A

HBD ≤ 5— N/A

HBA ≤ 10— N/A

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

90/100

Excellent drug-like profile

Predicted LogP

N/A

CNS Permeability

Clark model · J Pharm Sci, 1999

TPSA data required

Requires experimental confirmation.

⚠ These are computational estimates based on Lipinski & Veber physicochemical rules. They are not validated ADMET predictions and must not be used for clinical, regulatory, or safety decisions. For research use only.