1,1,2,3-tetrachloro-3,3-difluoroprop-1-ene

• ChemBase ID: 10398
• Molecular Formular: C3Cl4F2
• Molecular Mass: 215.8409064
• Monoisotopic Mass: 213.87221716
• SMILES: C(=C(Cl)C(F)(Cl)F)(Cl)Cl
• Canonical SMILES: ClC(=C(C(Cl)(F)F)Cl)Cl
• InChI: InChI=1S/C3Cl4F2/c4-1(2(5)6)3(7,8)9
• InChIKey: OGIXKBNGJDSELX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,3-tetrachloro-3,3-difluoroprop-1-ene
• IUPAC Traditional name: 1,1,2,3-tetrachloro-3,3-difluoroprop-1-ene
• Synonyms: 3,3-Difluoro-1,1,2,3-tetrachloropropene

Database IDs

• CAS Number: 431-50-5
• MDL Number: MFCD02258553
• PubChem SID: 160973705
• PubChem CID: 243659

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.055649
• LogD (pH = 7.4): 3.055649
• Log P: 3.055649
• Molar Refractivity: 46.5324 cm^3
• Polarizability: 13.630474 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: OZONE DEPLETER
• TSCA Listed: false

Product Information

• Purity: 99%