Basic information
- CAS
16518-94-8- Standard SMILES
CCCCCCCCCCCCCCC(F)C(=O)O- InChIKey
JGRIJJOLCNCSNX-UHFFFAOYSA-N- Molecular formula
- C16H31FO2
- Average molar mass
- 274.41 g/mol
- Monoisotopic mass
- 274.23080839
Overview
2-fluorohexadecanoic acid is a long-chain fatty acid and a fluoro fatty acid.
Names & identifiers
- Preferred name
- 2-Fluorohexadecanoic acid
- IUPAC
- 2-fluorohexadecanoic acid
- English name
- 2-Fluoropalmitic acid
- Molecular formula
- C16H31FO2
- Molecular weight
- 274.41
Names & synonyms
2-fluoropalmitic acid2-Fluorohexadecanoic acid16518-94-8Hexadecanoic acid, 2-fluoro-DTXSID001347659RefChem:909833DTXCID2017763872-Fluoro palmitic acid89270-22-4NSC 1582882-fluoro-hexadecanoic acidDL-alpha-Fluoropalmitic acid
Show more names
C16H31FO2fluoropalmitic acidJGRIJJOLCNCSNX-UHFFFAOYSA-N2-fluoro-palmitic acidstarbld0019658CBiol_002000BSPBio_001415KBioGR_000135
Database identifiers
- CAS
16518-94-8- PubChem CID
- 1560
- DTXSID
DTXSID001347659- ChEMBL
CHEMBL1373832- ChEBI
CHEBI:94978- Nikkaji
- J429.033J
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 207
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Halogenated fatty acids [FA0109]
Physicochemical properties
- Boiling point
- 376.1 · 376.1±12.0 °C(Predicted)
- Density
- 0.936 · 0.936±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- solubility
- Soluble in DMSO
- form
- crystalline solid
- pka
- 2.7 · 2.70±0.21(Predicted)
- color
- White to off-white
Chemistry & industry
Applications
UsesQuinine (sulfate hydrate) (Standard) is the analytical standard of Quinine (sulfate hydrate). This product is intended for research and analytical applications. Quinine sulfate hydrate (2:1:4) is an orally active alkaloid extracted from cinchona bark and can be used in anti-malarial studies. Quinine sulfate hydrate (2:1:4) is a potassium channel inhibitor that inhibits WT mouse Slo3 (KCa5.1) channel currents evoked by voltage pulses to +100mV with an IC50 of 169 μM.
Suppliers13 total
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
Aladdin Scientific[email protected]
上海波以尔化工有限公司021-50182298 021-50180596 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
BOC Sciences16314854226 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
ChemeGen 中国18818260767 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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