1,1,2,3,3-pentafluoro-1,3-dimethoxypropane

• ChemBase ID: 93083
• Molecular Formular: C5H7F5O2
• Molecular Mass: 194.099896
• Monoisotopic Mass: 194.03662056
• SMILES: O(C(C(C(OC)(F)F)F)(F)F)C
• Canonical SMILES: COC(C(C(OC)(F)F)F)(F)F
• InChI: InChI=1S/C5H7F5O2/c1-11-4(7,8)3(6)5(9,10)12-2/h3H,1-2H3
• InChIKey: QXFWMCWAGHYFKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,3,3-pentafluoro-1,3-dimethoxypropane
• IUPAC Traditional name: 1,1,2,3,3-pentafluoro-1,3-dimethoxypropane
• Synonyms: 1,3-Dimethoxy-2H-perfluoropropane; 1,3-Dimethoxy-1,1,2,3,3-pentafluoropropane

Database IDs

• PubChem SID: 162104890
• PubChem CID: 13319074

CALCULATED PROPERTIES

• Acid pKa: 15.2993145
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0346081
• LogD (pH = 7.4): 2.0346081
• Log P: 2.0346081
• Molar Refractivity: 29.4566 cm^3
• Polarizability: 11.107738 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.3673
• Refractive Index: 1.3330

Safety Information

• Storage Warning: Flammable