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

• ChemBase ID: 98442
• Molecular Formular: C4H5F5O
• Molecular Mass: 164.073916
• Monoisotopic Mass: 164.02605588
• SMILES: FC(CC(F)(OC)F)(F)F
• Canonical SMILES: COC(CC(F)(F)F)(F)F
• InChI: InChI=1S/C4H5F5O/c1-10-4(8,9)2-3(5,6)7/h2H2,1H3
• InChIKey: VVYLFAAYPQDDKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD04038869
• PubChem SID: 162084868
• PubChem CID: 2782397

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.9312098
• LogD (pH = 7.4): 1.9312098
• Log P: 1.9312098
• Molar Refractivity: 23.4795 cm^3
• Polarizability: 8.612441 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable