2-[(2,2-difluoroethenyl)oxy]-1-phenylethan-1-ol

• ChemBase ID: 277238
• Molecular Formular: C10H10F2O2
• Molecular Mass: 200.1820064
• Monoisotopic Mass: 200.064886
• SMILES: C(=COCC(c1ccccc1)O)(F)F
• Canonical SMILES: OC(c1ccccc1)COC=C(F)F
• InChI: InChI=1S/C10H10F2O2/c11-10(12)7-14-6-9(13)8-4-2-1-3-5-8/h1-5,7,9,13H,6H2
• InChIKey: ZKNZQGOLWFCNCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2,2-difluoroethenyl)oxy]-1-phenylethan-1-ol
• IUPAC Traditional name: 2-[(2,2-difluoroethenyl)oxy]-1-phenylethanol
• Synonyms: 2-[(2,2-difluoroethenyl)oxy]-1-phenylethan-1-ol

Database IDs

• MDL Number: MFCD19686388
• PubChem SID: 164333148
• PubChem CID: 54594577

CALCULATED PROPERTIES

• Acid pKa: 13.681015
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.902512
• LogD (pH = 7.4): 1.9025117
• Log P: 1.902512
• Molar Refractivity: 58.4094 cm^3
• Polarizability: 18.270912 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.233

Product Information

• Purity: 95%