2-(2,4-dimethylphenyl)-2,2-difluoroethanol

CAS No.：

Cat. No.: SC24718

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Product Name :2-(2,4-dimethylphenyl)-2,2-difluoroethanol

Cat. No.: :SC24718

Purity / Specification :—

CAS No. :1785274-59-0

MDL No. :—

Molecular Formula :C₁₀H₁₂F₂O

LogP :2.40

Molecular Weight :186.20

TPSA :20.2

Category :Building Blocks

HSN Code :—

SMILES Code :Cc1ccc(C(F)(F)CO)c(C)c1

Melting Point :—

InChI Key : :RTQALIVKBQMLQN-UHFFFAOYSA-N

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

✓ PASS

MW ≤ 500 Da✓ 186.2 Da

LogP ≤ 5✓ 2.40

HBD ≤ 5✓ 1

HBA ≤ 10✓ 3

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

68/100

Moderate — typical building block

Predicted LogP

2.40log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 20.2Å² · Threshold: <60 CNS+ · 60–90 CNS± · >90 CNS−

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.