1,2-dichloro-1,2,2-trifluoro-1-(trifluoromethoxy)ethane

• ChemBase ID: 9401
• Molecular Formular: C3Cl2F6O
• Molecular Mass: 236.9279192
• Monoisotopic Mass: 235.9230393
• SMILES: O(C(C(F)(Cl)F)(F)Cl)C(F)(F)F
• Canonical SMILES: FC(OC(C(Cl)(F)F)(Cl)F)(F)F
• InChI: InChI=1S/C3Cl2F6O/c4-1(6,7)2(5,8)12-3(9,10)11
• InChIKey: PIHHZNWHYDIJIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dichloro-1,2,2-trifluoro-1-(trifluoromethoxy)ethane
• IUPAC Traditional name: 1,2-dichloro-1,2,2-trifluoro-1-(trifluoromethoxy)ethane
• Synonyms: 1,2-Dichloro-1,2,2-trifluoroethyl trifluoromethyl ether 98%; 1,2-Dichlorotrifluoroethyl trifluoromethyl ether

Database IDs

• CAS Number: 2356-53-8
• MDL Number: MFCD00464450
• PubChem SID: 160972708
• PubChem CID: 102791

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.9299405
• LogD (pH = 7.4): 3.9299405
• Log P: 3.9299405
• Molar Refractivity: 25.3044 cm^3
• Polarizability: 11.072968 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%