1-fluorohexadecane

• ChemBase ID: 93905
• Molecular Formular: C16H33F
• Molecular Mass: 244.4316232
• Monoisotopic Mass: 244.25662928
• SMILES: FCCCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCF
• InChI: InChI=1S/C16H33F/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3
• InChIKey: SVDDGAXOOORGGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-fluorohexadecane
• IUPAC Traditional name: 1-fluorohexadecane
• Synonyms: 1-Fluorohexadecane; Hexadecyl fluoride

Database IDs

• CAS Number: 408-38-8
• PubChem SID: 162080560
• PubChem CID: 3013877

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.0312376
• LogD (pH = 7.4): 7.0312376
• Log P: 7.0312376
• Molar Refractivity: 75.6548 cm^3
• Polarizability: 29.889643 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant