3-(4-fluorophenyl)morpholine

• ChemBase ID: 804244
• Molecular Formular: C10H12FNO
• Molecular Mass: 181.2067832
• Monoisotopic Mass: 181.09029223
• SMILES: C1(COCCN1)c1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)C1NCCOC1
• InChI: InChI=1S/C10H12FNO/c11-9-3-1-8(2-4-9)10-7-13-6-5-12-10/h1-4,10,12H,5-7H2
• InChIKey: VURZDWDKDQRYTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-fluorophenyl)morpholine
• IUPAC Traditional name: 2-(M-fluorophenyl)morpholine
• Synonyms: 3-(4-FLUOROPHENYL)MORPHOLINE

Database IDs

• CAS Number: 1017396-52-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.62521696
• LogD (pH = 7.4): 1.057089
• Log P: 1.5155632
• Molar Refractivity: 48.2671 cm^3
• Polarizability: 18.839987 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%