2-ethoxycarbonyl-6,6,6-trifluoro-2-methylhexanoic acid

CAS No.：

Cat. No.: SC25873

Available on Request

Price on Request

Bulk Inquiry

Product Name :2-ethoxycarbonyl-6,6,6-trifluoro-2-methylhexanoic acid

Cat. No.: :SC25873

Purity / Specification :—

CAS No. :1920530-78-4

MDL No. :—

Molecular Formula :C₁₀H₁₅F₃O₄

LogP :—

Molecular Weight :256.22

TPSA :—

Category :Building Blocks

HSN Code :—

SMILES Code :C(C)OC(=O)C(C(=O)O)(CCCC(F)(F)F)C

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✓ 256.2 Da

LogP ≤ 5— N/A

HBD ≤ 5— N/A

HBA ≤ 10— N/A

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

76/100

Good 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.