1-bromo-2-fluoroethane

• ChemBase ID: 108431
• Molecular Formular: C2H4BrF
• Molecular Mass: 126.9555632
• Monoisotopic Mass: 125.94804035
• SMILES: FCCBr
• Canonical SMILES: FCCBr
• InChI: InChI=1S/C2H4BrF/c3-1-2-4/h1-2H2
• InChIKey: JTLAIKFGRHDNQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-2-fluoroethane
• IUPAC Traditional name: ethane, 1-bromo-2-fluoro-
• Synonyms: 1-BROMO-2-FLUOROETHANE

Database IDs

• CAS Number: 762-49-2
• MDL Number: MFCD00039285
• PubChem SID: 162094308
• PubChem CID: 12982

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.2224998
• LogD (pH = 7.4): 1.2224998
• Log P: 1.2224998
• Molar Refractivity: 18.896 cm^3
• Polarizability: 7.3067403 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.158

Product Information

• Purity: 95%; 95+%