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

• ChemBase ID: 11897
• Molecular Formular: C3Cl2F6
• Molecular Mass: 220.9285192
• Monoisotopic Mass: 219.92812468
• SMILES: C(C(C(Cl)(F)F)(F)F)(Cl)(F)F
• Canonical SMILES: FC(C(Cl)(F)F)(C(Cl)(F)F)F
• InChI: InChI=1S/C3Cl2F6/c4-2(8,9)1(6,7)3(5,10)11
• InChIKey: JETINLPZEWINFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dichloro-1,1,2,2,3,3-hexafluoropropane
• IUPAC Traditional name: 1,3-dichloro-1,1,2,2,3,3-hexafluoropropane
• Synonyms: 1,3-Dichlorohexafluoropropane; 1,1,2,2,3,3-HEXAFLUORO-1,3-DICHLOROPROPANE

Database IDs

• CAS Number: 662-01-1
• MDL Number: MFCD00018815
• PubChem SID: 160975204
• PubChem CID: 69580

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1957333
• LogD (pH = 7.4): 3.1957333
• Log P: 3.1957333
• Molar Refractivity: 27.2068 cm^3
• Polarizability: 10.234146 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 35-36°C
• Density: 1.5730
• Refractive Index: 1.3030

Safety Information

• Storage Warning: IRRITANT, OZONE DEPLETER
• TSCA Listed: false

Product Information

• Purity: 99+%

DETAILS

MP Biomedicals - 05212107

MP Biomedicals Rare Chemical collection