Buy 2F‑Ketamine Crystalline Powder Online — Analytical Reference Substance
Buy 2f‑ketamine crystalline powder (2‑fluorodeschloroketamine, 2‑FDCK) is a fluorinated analogue of ketamine, belonging to the arylcyclohexylamine family.
It is used exclusively as a calibration reference and instrumental standard in controlled arylcyclohexylamine analysis by forensic and environmental chemistry laboratories.
The crystalline powder form ensures high purity and consistent calibration for LC–MS/MS, GC–MS, and NMR spectroscopy.
Organic / Inorganic Chemistry
| Property | Details |
|---|---|
| IUPAC Name | 2‑(2‑fluorophenyl)‑2‑(methylamino)cyclohexan‑1‑one |
| Molecular Formula | C₁₃H₁₆FNO |
| Molecular Weight | 221.27 g mol⁻¹ |
| Functional Groups | β‑ketone (C=O), secondary amine, aryl fluoride |
| Chemical Classification | Organic compound – Cyclohexanone derivative |
| Appearance | Off‑white microcrystalline powder |
| Melting Point (HCl salt) | ≈ 184 – 186 °C |
| Boiling Point (free base) | > 340 °C (decomp.) |
| Solubility | Freely soluble in ethanol and acetonitrile; sparingly soluble in water (< 10 mg mL⁻¹) |
| pKa (amine) | ≈ 8.45 |
| log P (pred.) | ≈ 3.1 |
| Purity Range | ≥ 98 % (by HPLC) |
Chemical Biology
- Pharmacological class: Arylcyclohexylamine NMDA receptor antagonist analog used in binding‑site model studies.
- Research Application: Referenced for spectral comparison and metabolic simulation of arylcyclohexylamines.
- Enzymatic Interactions: Target CYP2B6, CYP2D6, and CYP3A4 in vitro microsomal conversions → 2F‑norketamine metabolite.
- Structural Characteristic: Fluoro substitution reduces hydrogen‑bond acceptor density and alters lipophilicity versus ketamine.
- Use Restriction: Not evaluated for therapeutic or clinical applications.
Computational Chemistry
| Parameter | Value (B3LYP/6‑31G*) |
|---|---|
| Dipole Moment | 3.42 Debye |
| HOMO–LUMO Gap | 5.75 eV |
| Topological Polar Surface Area (TPSA)** | 29 Ų |
| Rotatable Bonds | 2 |
| Binding Energy (NMDA receptor model)** | –9.1 kcal·mol⁻¹ |
| LogP (pred.) | 3.1 |
| Optimized Ring Torsion | 12.7° due to ortho‑F steric effect |
| Interpretation | Fluorine increases electron density on aromatic ring and modifies dipole moment, affecting membrane permeability prediction. |
Environmental Chemistry
- Persistence: Moderate due to C–F bond stability.
- Photostability: Partial UV degradation (half‑life ≈ 6 h at 280 nm).
- Hydrolysis: Stable pH 4–8; slow oxidative decomposition in alkaline media.
- Partition Coefficient (log Kow): ≈ 3.0 → medium bioaccumulation potential.
- Biodegradability: Limited; requires chemical oxidative destruction before disposal.
- Environmental Treatment: Advanced oxidation (e.g., Fenton process, KMnO₄), then authorized high‑temperature incineration (≥ 1100 °C).
Laboratory Equipment
| Equipment | Purpose |
|---|---|
| LC–MS/MS (ESI⁺) | [M+H]⁺ = 222 m/z → fragments 204 and 186; quantitative calibration. |
| GC–MS (EI) | Parent ion = 221 m/z; base peak = 179 m/z. |
| FTIR (ATR) | C=O stretch ≈ 1680 cm⁻¹; C–F stretch ≈ 1225 cm⁻¹. |
| ¹H NMR (CDCl₃) | δ 7.0–7.3 ppm (aromatic H) · δ 2.8–3.0 (N‑CH₃). |
| HPLC Q‑Control | C18 column; MeOH/H₂O (70:30 + 0.1% formic acid); Rt ≈ 4.4 min. |
| Storage | ≤ –20 °C; desiccated; protected from light and air exposure. |
Laboratory Consumables
- Analytical balance (accuracy ±0.01 mg).
- LC–MS grade methanol and acetonitrile.
- Certified reference standards (Ketamine and Deschloroketamine comparators).
- Amber storage vials with PTFE‑lined seals.
- PPE: nitrile gloves, safety goggles, lab coat, P3 respirator.
Regulation & Safety
| Category | Information |
|---|---|
| Legal Status | Class B (UK MDA 1971); Schedule I Analogue (US); Schedule 9 (Australia). |
| Authorized Use | Forensic and analytical research under license only. |
| UN Classification | UN 2811 · Toxic solid, organic, n.o.s. |
| GHS Signal Word | Danger |
| Hazard Codes | H301 · H311 · H331 · H370 — Toxic if swallowed, inhaled, or through skin; may cause organ damage. |
| Precautions | Avoid dust generation; conduct work in fume hood; label and segregate storage. |
| Disposal | Collect sealed waste containers; certified incineration facility required. |
| First Aid | Flush affected area ≥ 15 min; seek immediate medical assistance. |
Chemical Informatics
| Descriptor | Value |
|---|---|
| SMILES | CN(C1(CCCCC1)C(=O)C2=CC=CC=C2F) |
| InChIKey | LQKQZQVISTWWTH‑UHFFFAOYSA‑N |
| Molecular Mass | 221.27 g mol⁻¹ |
| TPSA | 29 Ų |
| log P | 3.1 |
| Rotatable Bonds | 2 |
| CAS RN (reference) | [Not officially designated in CAS open registry] |
| Relevance | Used in QSAR, mass‑fragmentation, and computational toxicology databases. |
Legal & Ethical Statement
⚠️ Controlled‑Substance Notice
2F‑Ketamine (2‑FDCK) is subject to national and international drug control regulations. Any use outside licensed research is illegal. This document is intended for educational, regulatory, and forensic reference only — not promotion, advertising, or distribution purposes.




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