1-Fluoroadamantane

• CAS: 768-92-3
• Catalog Number: ACM768923
• Category: Main Products
• Molecular Weight: 154.23
• Molecular Formula: C₁₀H₁₅F
• Synonyms: 1-Fluoroadamantane, 1-Adamantyl Fluoride, MolPort-001-774-361, CID136608, PC31767, F0511, tricyclo[3.3.1.1~3,7~]decane, 1-fluoro-, InChI=1/C10H15F/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H, 768-92-3
• IUPAC Name: 1-fluoroadamantane
• SMILES: C1C2CC3CC1CC(C2)(C3)F
• InChI Key: CPWSNJSGSXXVLD-UHFFFAOYSA-N
• Boiling Point: 188.8ºC at 760 mmHg
• Melting Point: 225ºC
• Flash Point: 67.3ºC
• Density: 1.06g/cm³
• Exact Mass: 154.11600
• Hazard Statements: Xi
• H-Bond Acceptor: 1
• H-Bond Donor: 0

Case Study

1-Fluoroadamantane as a Precursor for High-Pressure Nanodiamond Synthesis

Ekimov, E. A., et al. Diamond and Related Materials 136 (2023): 109907.

1-Fluoroadamantane demonstrates unique carbonization behavior under high-pressure high-temperature (HPHT) conditions. This case study examines its efficacy as a nanodiamond precursor at record-low pressure/temperature parameters and analyzes the resulting material properties.
Key Findings:
· Synthesis Breakthrough: 1-Fluoroadamantane enabled nanodiamond nucleation at unprecedented low parameters (5.5 GPa, 400-420°C) and sustained growth at 8-9 GPa across temperatures up to 1300°C. Carbonization below 600-800°C released molecular hydrogen, while higher temperatures formed volatile hydrocarbons, with the hydrogen-release regime being critical for nucleation.
· Material Properties: The resulting 5-nm nanodiamonds exhibited metastable surfaces featuring reconstructed sp2-C domains and hydrogenated fragments. They demonstrated p-type semiconductor behavior with 0.1 eV activation energy at room temperature and showed unusual non-monotonic pressure-dependent conductivity.
· Reaction Mechanism: Nanodiamond formation depended on pressure-regulated catalytic activity within the C-H-F growth medium. Competitive graphitic sp2 carbon formed at 5.5 GPa above 600°C, while hydrogen evolution at lower temperatures (<600-800°C) was essential for effective nucleation.

1-Fluoroadamantane as Performance-Enhancing Additive for Solid Polymer Electrolytes

Zhuang, Mengbing, et al. Journal of Materiomics 11.2 (2025): 100864.

This work evaluated the efficacy of 1-fluoroadamantane (AdF) in enhancing poly(ethylene oxide) (PEO)-based solid polymer electrolytes (SPEs) for all-solid-state lithium-metal batteries (ASSBs), focusing on ionic conductivity, interfacial stability, and cycling performance.
Preparation:
Solid polymer electrolyte membranes were prepared via solvent casting, dissolving PEO (Mw ≈ 600,000) and LiTFSI in anhydrous acetonitrile (EO:Li⁺ = 14:1 molar ratio) under vigorous stirring. 1-Fluoroadamantane was added at 1%, 3%, and 6% mass ratios relative to PEO, followed by drying at 80°C under vacuum for 36 hours to form homogeneous membranes.
Key Results:
· Electrolyte Enhancement: AdF (3% optimal) increased ionic conductivity to 1.43 × 10^-4 S/cm (vs. 1.48 × 10^-5 S/cm for pure PEO) and improved Li+ transference number to 0.39 (vs. 0.28). The diamondoid C₁₀H₁₅^- moiety stabilized the polymer matrix while fluorine mediated LiF formation at interfaces.
· Battery Performance: Symmetric Li/Li cells sustained stable plating/stripping for >2,400 hours. NMC811/AdF-SPE/Li ASSBs delivered the initial capacities of 210 mAh/g (0.1C) and 170 mAh/g (0.3C), 84% capacity retention after 600 cycles at 0.3C, and performance comparable to liquid electrolytes.

Custom Q&A

What is the molecular formula of 1-Fluoroadamantane?

The molecular formula of 1-Fluoroadamantane is C10H15F.

What is the molecular weight of 1-Fluoroadamantane?

The molecular weight of 1-Fluoroadamantane is 154.22 g/mol.

What is the IUPAC name of 1-Fluoroadamantane?

The IUPAC name of 1-Fluoroadamantane is 1-fluoroadamantane.

What is the InChI of 1-Fluoroadamantane?

The InChI of 1-Fluoroadamantane is InChI=1S/C10H15F/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2.

What is the InChIKey of 1-Fluoroadamantane?

The InChIKey of 1-Fluoroadamantane is CPWSNJSGSXXVLD-UHFFFAOYSA-N.

What is the canonical SMILES of 1-Fluoroadamantane?

The canonical SMILES of 1-Fluoroadamantane is C1C2CC3CC1CC(C2)(C3)F.

What is the CAS number of 1-Fluoroadamantane?

The CAS number of 1-Fluoroadamantane is 768-92-3.

What is the XLogP3 value of 1-Fluoroadamantane?

The XLogP3 value of 1-Fluoroadamantane is 3.2.

How many hydrogen bond donor counts does 1-Fluoroadamantane have?

1-Fluoroadamantane has 0 hydrogen bond donor counts.

What is the topological polar surface area of 1-Fluoroadamantane?

The topological polar surface area of 1-Fluoroadamantane is 0Ų.