1,2-dichloro-1,1,2,3,3,3-hexafluoropropane

• ChemBase ID: 109186
• Molecular Formular: C3Cl2F6
• Molecular Mass: 220.9285192
• Monoisotopic Mass: 219.92812468
• SMILES: FC(F)(F)C(F)(Cl)C(F)(F)Cl
• Canonical SMILES: FC(C(Cl)(F)F)(C(F)(F)F)Cl
• InChI: InChI=1S/C3Cl2F6/c4-1(6,2(5,7)8)3(9,10)11
• InChIKey: JSEUKVSKOHVLOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dichloro-1,1,2,3,3,3-hexafluoropropane
• IUPAC Traditional name: 1,2-dichloro-1,1,2,3,3,3-hexafluoropropane
• Synonyms: 1,2-DICHLOROHEXAFLUORO PROPANE

Database IDs

• CAS Number: 661-97-2
• PubChem SID: 162096233
• PubChem CID: 61193

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.422474
• LogD (pH = 7.4): 3.422474
• Log P: 3.422474
• Molar Refractivity: 27.2905 cm^3
• Polarizability: 10.231193 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05210139

MP Biomedicals Rare Chemical collection