2-(2-fluorophenyl)morpholine

• ChemBase ID: 269004
• Molecular Formular: C10H12FNO
• Molecular Mass: 181.2067832
• Monoisotopic Mass: 181.09029223
• SMILES: c1(C2OCCNC2)c(F)cccc1
• Canonical SMILES: Fc1ccccc1C1CNCCO1
• InChI: InChI=1S/C10H12FNO/c11-9-4-2-1-3-8(9)10-7-12-5-6-13-10/h1-4,10,12H,5-7H2
• InChIKey: PBQOCFSZEFFTKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-fluorophenyl)morpholine
• IUPAC Traditional name: 2-(2-fluorophenyl)morpholine
• Synonyms: 2-(2-fluorophenyl)morpholine

Database IDs

• CAS Number: 1017480-65-7
• MDL Number: MFCD09901449
• PubChem SID: 164324914
• PubChem CID: 24271513

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8176384
• LogD (pH = 7.4): 0.90581214
• Log P: 1.5155632
• Molar Refractivity: 48.2671 cm^3
• Polarizability: 18.838171 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.293

Product Information

• Purity: 95%; 98%