cyclohexyl(5-fluoropyridin-3-yl)methanol

• ChemBase ID: 272800
• Molecular Formular: C12H16FNO
• Molecular Mass: 209.2599432
• Monoisotopic Mass: 209.12159236
• SMILES: c1(C(C2CCCCC2)O)cc(F)cnc1
• Canonical SMILES: Fc1cncc(c1)C(C1CCCCC1)O
• InChI: InChI=1S/C12H16FNO/c13-11-6-10(7-14-8-11)12(15)9-4-2-1-3-5-9/h6-9,12,15H,1-5H2
• InChIKey: MVIKMCVCOLTJTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohexyl(5-fluoropyridin-3-yl)methanol
• IUPAC Traditional name: cyclohexyl(5-fluoropyridin-3-yl)methanol
• Synonyms: cyclohexyl(5-fluoropyridin-3-yl)methanol

Database IDs

• MDL Number: MFCD14684017
• PubChem SID: 164328710
• PubChem CID: 50990577

CALCULATED PROPERTIES

• Acid pKa: 13.871719
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3047473
• LogD (pH = 7.4): 2.304973
• Log P: 2.304976
• Molar Refractivity: 56.3486 cm^3
• Polarizability: 21.87078 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.264

Product Information

• Purity: 95%