1-(3,5-difluorophenyl)propan-2-ol

• ChemBase ID: 245946
• Molecular Formular: C9H10F2O
• Molecular Mass: 172.1719064
• Monoisotopic Mass: 172.06997138
• SMILES: c1(cc(cc(c1)F)F)CC(O)C
• Canonical SMILES: CC(Cc1cc(F)cc(c1)F)O
• InChI: InChI=1S/C9H10F2O/c1-6(12)2-7-3-8(10)5-9(11)4-7/h3-6,12H,2H2,1H3
• InChIKey: RBXBUNVTDIPYQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3,5-difluorophenyl)propan-2-ol
• IUPAC Traditional name: 1-(3,5-difluorophenyl)propan-2-ol
• Synonyms: 1-(3,5-difluorophenyl)propan-2-ol

Database IDs

• MDL Number: MFCD14679676
• PubChem SID: 164301856
• PubChem CID: 61496690

CALCULATED PROPERTIES

• Acid pKa: 15.497756
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.196536
• LogD (pH = 7.4): 2.196536
• Log P: 2.196536
• Molar Refractivity: 42.4805 cm^3
• Polarizability: 15.802979 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.928

Product Information

• Purity: 95%