4-chloro-1,1-difluorobut-1-ene

• ChemBase ID: 98174
• Molecular Formular: C4H5ClF2
• Molecular Mass: 126.5323064
• Monoisotopic Mass: 126.00478428
• SMILES: ClCCC=C(F)F
• Canonical SMILES: ClCCC=C(F)F
• InChI: InChI=1S/C4H5ClF2/c5-3-1-2-4(6)7/h2H,1,3H2
• InChIKey: HFOJHYWCUHUJPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-1,1-difluorobut-1-ene
• IUPAC Traditional name: 4-chloro-1,1-difluorobut-1-ene
• Synonyms: 4,4-Difluorobut-3-en-1-yl chloride; 4-Chloro-1,1-difluorobut-1-ene 97%

Database IDs

• CAS Number: 1346521-43-4
• PubChem SID: 162084632
• PubChem CID: 53874675

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.0350757
• LogD (pH = 7.4): 2.0350757
• Log P: 2.0350757
• Molar Refractivity: 36.3596 cm^3
• Polarizability: 9.380536 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 73-74°C

Safety Information

• Storage Warning: Flammable/Harmful/Irritant