1-bromo-5-fluoropentane

• ChemBase ID: 97771
• Molecular Formular: C5H10BrF
• Molecular Mass: 169.0353032
• Monoisotopic Mass: 167.99499054
• SMILES: BrCCCCCF
• Canonical SMILES: FCCCCCBr
• InChI: InChI=1S/C5H10BrF/c6-4-2-1-3-5-7/h1-5H2
• InChIKey: GMYIZICPHREVDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-5-fluoropentane
• IUPAC Traditional name: 1-bromo-5-fluoropentane
• Synonyms: 5-Fluoropentyl bromide; 5-Bromopentyl fluoride; 1-Bromo-5-fluoropentane

Database IDs

• CAS Number: 407-97-6
• MDL Number: MFCD01709395
• PubChem SID: 162084323
• PubChem CID: 120236

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.244391
• LogD (pH = 7.4): 2.244391
• Log P: 2.244391
• Molar Refractivity: 33.007 cm^3
• Polarizability: 12.55 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable/Harmful/Light Sensitive

Product Information

• Purity: 95+%