2-fluorohexadecanoic acid

• ChemBase ID: 105366
• Molecular Formular: C16H31FO2
• Molecular Mass: 274.4145432
• Monoisotopic Mass: 274.23080845
• SMILES: CCCCCCCCCCCCCCC(F)C(=O)O
• Canonical SMILES: CCCCCCCCCCCCCCC(C(=O)O)F
• InChI: InChI=1S/C16H31FO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3,(H,18,19)
• InChIKey: JGRIJJOLCNCSNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluorohexadecanoic acid
• IUPAC Traditional name: 2-fluoropalmitic acid
• Synonyms: 2-FLUOROPALMITIC ACID

Database IDs

• CAS Number: 16518-94-8
• PubChem SID: 162092141
• PubChem CID: 1560

CALCULATED PROPERTIES

• Acid pKa: 4.29423
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 5.0466623
• LogD (pH = 7.4): 3.3094215
• Log P: 6.2766085
• Molar Refractivity: 76.8837 cm^3
• Polarizability: 30.394154 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 84-86°C

Safety Information

• Storage Condition: 0°C

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 02159921

Purity: 98%
Inhibitor of palmityl-CoA biosynthesis resulting in the blocking of protein palmitoylation. A posttranslational modification reagent which palmitoylates G protein α-subunits, G proteins of low molecular weight, and p56.

REFERENCES

• Abraham, N. and Veillette, A., Mol. Cell. Biol. , 10 : 5197 (1990).
• Hancock, J.F., et al., Cell , 57 : 1167 (1989).
• Soltysiak, R.M., et al., Biochim. Biophys. Acta , 792 : 214 (1984).