1,2-dichloro-3,3-difluoroprop-1-ene

• ChemBase ID: 110165
• Molecular Formular: C3H2Cl2F2
• Molecular Mass: 146.9507864
• Monoisotopic Mass: 145.95016186
• SMILES: FC(F)/C(=C/Cl)/Cl
• Canonical SMILES: Cl/C=C(/C(F)F)\Cl
• InChI: InChI=1S/C3H2Cl2F2/c4-1-2(5)3(6)7/h1,3H
• InChIKey: NZZOIMNOBUBWKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dichloro-3,3-difluoroprop-1-ene
• IUPAC Traditional name: 1,2-dichloro-3,3-difluoroprop-1-ene
• Synonyms: 2,3-DICHLORO-1,1-DIFLUORO-2-PROPENE

Database IDs

• PubChem SID: 162106360
• PubChem CID: 5357685

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.9230711
• LogD (pH = 7.4): 1.9230711
• Log P: 1.9230711
• Molar Refractivity: 25.2099 cm^3
• Polarizability: 9.612339 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05213968

MP Biomedicals Rare Chemical collection