3-(2-fluorophenyl)cyclobutan-1-ol

• ChemBase ID: 249195
• Molecular Formular: C10H11FO
• Molecular Mass: 166.1921432
• Monoisotopic Mass: 166.07939319
• SMILES: C1(c2c(F)cccc2)CC(C1)O
• Canonical SMILES: OC1CC(C1)c1ccccc1F
• InChI: InChI=1S/C10H11FO/c11-10-4-2-1-3-9(10)7-5-8(12)6-7/h1-4,7-8,12H,5-6H2
• InChIKey: VHXUJYIIQIRAEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-fluorophenyl)cyclobutan-1-ol
• IUPAC Traditional name: 3-(2-fluorophenyl)cyclobutan-1-ol
• Synonyms: 3-(2-fluorophenyl)cyclobutan-1-ol

Database IDs

• MDL Number: MFCD12152568
• PubChem SID: 164305105
• PubChem CID: 60792415

CALCULATED PROPERTIES

• Acid pKa: 15.500536
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9550811
• LogD (pH = 7.4): 1.9550811
• Log P: 1.9550811
• Molar Refractivity: 44.9335 cm^3
• Polarizability: 17.169487 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 46 - 48°C
• Hydrophobicity(logP): 1.7

Product Information

• Purity: 95%