2-(difluoromethoxy)-1,1,1-trifluoroethane

• ChemBase ID: 8008
• Molecular Formular: C3H3F5O
• Molecular Mass: 150.047336
• Monoisotopic Mass: 150.01040582
• SMILES: O(CC(F)(F)F)C(F)F
• Canonical SMILES: FC(OCC(F)(F)F)F
• InChI: InChI=1S/C3H3F5O/c4-2(5)9-1-3(6,7)8/h2H,1H2
• InChIKey: ZASBKNPRLPFSCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(difluoromethoxy)-1,1,1-trifluoroethane
• IUPAC Traditional name: 2-(difluoromethoxy)-1,1,1-trifluoroethane
• Synonyms: 2-(Difluoromethoxy)-1,1,1-trifluoroethane; 3-Oxa-1,1,1,4,4-pentafluorobutane; Difluoromethyl 2,2,2-trifluoroethyl ether 97%; Difluoromethyl 2,2,2-trifluoroethyl ether

Database IDs

• CAS Number: 1885-48-9
• MDL Number: MFCD00153127
• PubChem SID: 160971315
• PubChem CID: 74668

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.006404
• LogD (pH = 7.4): 2.006404
• Log P: 2.006404
• Molar Refractivity: 18.4715 cm^3
• Polarizability: 6.982298 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 28-29°C; 28-30°C

Safety Information

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

Product Information

• Purity: 97%

DETAILS

Apollo Scientific Ltd - PC2849C

Cylinder - 1/4" NPT connection