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

• ChemBase ID: 9128
• Molecular Formular: C3H3F5O
• Molecular Mass: 150.047336
• Monoisotopic Mass: 150.01040582
• SMILES: C(OCC(F)F)(F)(F)F
• Canonical SMILES: FC(COC(F)(F)F)F
• InChI: InChI=1S/C3H3F5O/c4-2(5)1-9-3(6,7)8/h2H,1H2
• InChIKey: SFNHUVOCGCQZEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-difluoro-2-(trifluoromethoxy)ethane
• IUPAC Traditional name: 1,1-difluoro-2-(trifluoromethoxy)ethane
• Synonyms: 2,2-Difluoroethyl trifluoromethyl ether; 2,2-Difluoroethyl trifluoromethyl ether 97%

Database IDs

• CAS Number: 84011-15-4
• MDL Number: MFCD02093310
• PubChem SID: 160972435
• PubChem CID: 2774090

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.179668
• LogD (pH = 7.4): 2.179668
• Log P: 2.179668
• Molar Refractivity: 14.18 cm^3
• Polarizability: 6.9833455 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 26°C; 26.12°C
• Density: 1.375

Safety Information

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

Product Information

• Purity: 97%