2-(3-chloro-4-fluorophenyl)morpholine

• ChemBase ID: 268934
• Molecular Formular: C10H11ClFNO
• Molecular Mass: 215.6518432
• Monoisotopic Mass: 215.05131988
• SMILES: c1(cc(c(cc1)F)Cl)C1OCCNC1
• Canonical SMILES: Fc1ccc(cc1Cl)C1CNCCO1
• InChI: InChI=1S/C10H11ClFNO/c11-8-5-7(1-2-9(8)12)10-6-13-3-4-14-10/h1-2,5,10,13H,3-4,6H2
• InChIKey: XMNVFZPAZVDHAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-chloro-4-fluorophenyl)morpholine
• IUPAC Traditional name: 2-(3-chloro-4-fluorophenyl)morpholine
• Synonyms: 2-(3-chloro-4-fluorophenyl)morpholine

Database IDs

• MDL Number: MFCD11646191
• PubChem SID: 164324844
• PubChem CID: 43350788

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.3340127
• LogD (pH = 7.4): 1.3998096
• Log P: 2.119608
• Molar Refractivity: 53.0719 cm^3
• Polarizability: 20.779617 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.006

Product Information

• Purity: 95%