2-chloro-3-fluoroprop-1-ene

• ChemBase ID: 93677
• Molecular Formular: C3H4ClF
• Molecular Mass: 94.5152632
• Monoisotopic Mass: 93.99855603
• SMILES: ClC(=C)CF
• Canonical SMILES: FCC(=C)Cl
• InChI: InChI=1S/C3H4ClF/c1-3(4)2-5/h1-2H2
• InChIKey: ZYVSNYBYAYMMQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-fluoroprop-1-ene
• IUPAC Traditional name: 2-chloro-3-fluoroprop-1-ene
• Synonyms: 2-Chloro-3-fluoroprop-1-ene

Database IDs

• CAS Number: 32804-07-2
• MDL Number: MFCD07784208
• PubChem SID: 162080362
• PubChem CID: 44717193

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.3405277
• LogD (pH = 7.4): 1.3405277
• Log P: 1.3405277
• Molar Refractivity: 20.4481 cm^3
• Polarizability: 7.663556 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 43-44°C
• Density: 1.1

Safety Information

• Storage Warning: Flammable