3,3-dichloro-1,1-difluoroprop-1-ene

• ChemBase ID: 99662
• Molecular Formular: C3H2Cl2F2
• Molecular Mass: 146.9507864
• Monoisotopic Mass: 145.95016186
• SMILES: FC(=CC(Cl)Cl)F
• Canonical SMILES: ClC(C=C(F)F)Cl
• InChI: InChI=1S/C3H2Cl2F2/c4-2(5)1-3(6)7/h1-2H
• InChIKey: OBFAQBSZUXJMSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3-dichloro-1,1-difluoroprop-1-ene
• IUPAC Traditional name: 3,3-dichloro-1,1-difluoroprop-1-ene
• Synonyms: R-1232; 3,3-Dichloro-1,1-difluoroprop-1-ene

Database IDs

• PubChem SID: 162105313
• PubChem CID: 51342050

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.4151149
• LogD (pH = 7.4): 2.4151149
• Log P: 2.4151149
• Molar Refractivity: 36.6587 cm^3
• Polarizability: 9.612595 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable/Irritant