1-chloro-2-fluoroprop-1-ene

• ChemBase ID: 93679
• Molecular Formular: C3H4ClF
• Molecular Mass: 94.5152632
• Monoisotopic Mass: 93.99855603
• SMILES: Cl/C=C(/C)\F
• Canonical SMILES: C/C(=C/Cl)/F
• InChI: InChI=1S/C3H4ClF/c1-3(5)2-4/h2H,1H3
• InChIKey: FPHYTGCIJLTSGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-2-fluoroprop-1-ene
• IUPAC Traditional name: 1-chloro-2-fluoroprop-1-ene
• Synonyms: (Z)-1-Chloro-2-fluoroprop-1-ene 90%

Database IDs

• CAS Number: 430-48-8
• MDL Number: MFCD07784210
• PubChem SID: 162080364
• PubChem CID: 23233664

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.3522006
• LogD (pH = 7.4): 1.3522006
• Log P: 1.3522006
• Molar Refractivity: 20.8097 cm^3
• Polarizability: 7.671623 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable