1,1-dichloro-1-(chlorodifluoromethoxy)-2,2,2-trifluoroethane

• ChemBase ID: 8942
• Molecular Formular: C3Cl3F5O
• Molecular Mass: 253.382516
• Monoisotopic Mass: 251.89348876
• SMILES: O(C(C(F)(F)F)(Cl)Cl)C(F)(Cl)F
• Canonical SMILES: FC(OC(C(F)(F)F)(Cl)Cl)(Cl)F
• InChI: InChI=1S/C3Cl3F5O/c4-1(5,2(7,8)9)12-3(6,10)11
• InChIKey: QPYZGZHEKIQPIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-dichloro-1-(chlorodifluoromethoxy)-2,2,2-trifluoroethane
• IUPAC Traditional name: 1,1-dichloro-1-(chlorodifluoromethoxy)-2,2,2-trifluoroethane
• Synonyms: 1,1-Dichloro-2,2,2-trifluoroethyl chlorodifluoromethyl ether; 1,1-Dichloro-2,2,2-trifluoroethyl chlorodifluoromethyl ether 98%

Database IDs

• CAS Number: 32778-09-9
• MDL Number: MFCD01320777
• PubChem SID: 160972249
• PubChem CID: 2736854

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.21753
• LogD (pH = 7.4): 4.21753
• Log P: 4.21753
• Molar Refractivity: 25.3044 cm^3
• Polarizability: 12.926603 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: none°C

Safety Information

• Storage Warning: Irritant
• TSCA Listed: false

Product Information

• Purity: 98%