1,1,1,2-tetrafluoro-2-(trifluoromethoxy)ethane

• ChemBase ID: 8053
• Molecular Formular: C3HF7O
• Molecular Mass: 186.0282624
• Monoisotopic Mass: 185.99156219
• SMILES: C(C(OC(F)(F)F)F)(F)(F)F
• Canonical SMILES: FC(C(F)(F)F)OC(F)(F)F
• InChI: InChI=1S/C3HF7O/c4-1(2(5,6)7)11-3(8,9)10/h1H
• InChIKey: UDKWMTKIRQSDHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2-tetrafluoro-2-(trifluoromethoxy)ethane
• IUPAC Traditional name: 1,1,1,2-tetrafluoro-2-(trifluoromethoxy)ethane
• Synonyms: HFE 227; 1,2,2,2-Tetrafluoroethyl trifluoromethyl ether 97%; 1,2,2,2-Tetrafluoroethyl trifluoromethyl ether

Database IDs

• CAS Number: 2356-62-9
• MDL Number: MFCD01320709
• PubChem SID: 160971360
• PubChem CID: 2776667

CALCULATED PROPERTIES

• Acid pKa: 18.836658
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0645354
• LogD (pH = 7.4): 3.0645354
• Log P: 3.0645354
• Molar Refractivity: 14.7187 cm^3
• Polarizability: 7.3295636 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: -9°C; -9.4°C

Safety Information

• Storage Warning: GAS; Irritant
• TSCA Listed: false

Product Information

• Purity: 97%

DETAILS

Apollo Scientific Ltd - PC0509

Cylinder - 1/4" NPT connection