1,1,1,2,2-pentafluoro-2-methoxyethane

• ChemBase ID: 12056
• Molecular Formular: C3H3F5O
• Molecular Mass: 150.047336
• Monoisotopic Mass: 150.01040582
• SMILES: C(C(OC)(F)F)(F)(F)F
• Canonical SMILES: COC(C(F)(F)F)(F)F
• InChI: InChI=1S/C3H3F5O/c1-9-3(7,8)2(4,5)6/h1H3
• InChIKey: GCDWNCOAODIANN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2-pentafluoro-2-methoxyethane
• IUPAC Traditional name: pentafluoroethyl methyl ether
• Synonyms: Pentafluoroethyl methyl ether; 1,1,1,2,2-Pentafluoro-3-oxabutane; Pentafluoroethyl methyl ether 98%

Database IDs

• CAS Number: 22410-44-2
• MDL Number: MFCD03094117
• PubChem SID: 160975363
• PubChem CID: 2775952

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.9277843
• LogD (pH = 7.4): 1.9277843
• Log P: 1.9277843
• Molar Refractivity: 19.0277 cm^3
• Polarizability: 6.9850483 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 5.6°C; 6°C
• Density: 1.28

Safety Information

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

Product Information

• Purity: 98%

DETAILS

Apollo Scientific Ltd - PC1289

Non-flammable gas