1,1,1,2,2-pentafluoro-3-methoxypropane

• ChemBase ID: 6772
• Molecular Formular: C4H5F5O
• Molecular Mass: 164.073916
• Monoisotopic Mass: 164.02605588
• SMILES: C(C(COC)(F)F)(F)(F)F
• Canonical SMILES: COCC(C(F)(F)F)(F)F
• InChI: InChI=1S/C4H5F5O/c1-10-2-3(5,6)4(7,8)9/h2H2,1H3
• InChIKey: ZYAMKYAPIQPWQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2-pentafluoro-3-methoxypropane
• IUPAC Traditional name: 1,1,1,2,2-pentafluoro-3-methoxypropane
• Synonyms: 2,2,3,3,3-Pentafluoropropyl methyl ether; Methyl 2,2,3,3,3-pentafluoropropyl ether 97%

Database IDs

• CAS Number: 378-16-5
• MDL Number: MFCD00236115
• PubChem SID: 160970079
• PubChem CID: 2776015

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7802883
• LogD (pH = 7.4): 1.7802883
• Log P: 1.7802883
• Molar Refractivity: 23.1306 cm^3
• Polarizability: 8.611186 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 46°C
• Density: 1.269
• Refractive Index: 1.285

Safety Information

• Storage Warning: Flammable
• TSCA Listed: false

Product Information

• Purity: 97%