1-fluoro-3-iodopropane

• ChemBase ID: 93680
• Molecular Formular: C3H6FI
• Molecular Mass: 187.9826132
• Monoisotopic Mass: 187.94982641
• SMILES: ICCCF
• Canonical SMILES: FCCCI
• InChI: InChI=1S/C3H6FI/c4-2-1-3-5/h1-3H2
• InChIKey: URBUZQPPQLQHBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-fluoro-3-iodopropane
• IUPAC Traditional name: 1-fluoro-3-iodopropane
• Synonyms: 3-Fluoropropyl iodide; 3-Iodopropyl fluoride; 1-Fluoro-3-iodopropane

Database IDs

• CAS Number: 462-40-8
• MDL Number: MFCD07784197
• PubChem SID: 162080365
• PubChem CID: 12899128

CALCULATED PROPERTIES

• Polarizability: 11.368291 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.7127373
• LogD (pH = 7.4): 1.7127373
• Log P: 1.7127373
• Molar Refractivity: 29.0101 cm^3

PROPERTIES

Physical Property

• Boiling Point: 68-69°C/95mm
• Flash Point: 34°C
• Refractive Index: 1.4955

Safety Information

• Storage Warning: Flammable/Irritant/Light Sensitive/Keep Cold