2-(2,4-dichloro-5-fluorophenyl)morpholine

• ChemBase ID: 271431
• Molecular Formular: C10H10Cl2FNO
• Molecular Mass: 250.0969032
• Monoisotopic Mass: 249.01234753
• SMILES: c1(c(cc(c(c1)F)Cl)Cl)C1OCCNC1
• Canonical SMILES: Fc1cc(C2CNCCO2)c(cc1Cl)Cl
• InChI: InChI=1S/C10H10Cl2FNO/c11-7-4-8(12)9(13)3-6(7)10-5-14-1-2-15-10/h3-4,10,14H,1-2,5H2
• InChIKey: FLADAOLOZKSSFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4-dichloro-5-fluorophenyl)morpholine
• IUPAC Traditional name: 2-(2,4-dichloro-5-fluorophenyl)morpholine
• Synonyms: 2-(2,4-dichloro-5-fluorophenyl)morpholine

Database IDs

• MDL Number: MFCD12767061
• PubChem SID: 164327341
• PubChem CID: 50989420

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.41598502
• LogD (pH = 7.4): 2.1356587
• Log P: 2.7236526
• Molar Refractivity: 57.8767 cm^3
• Polarizability: 22.726517 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.719

Product Information

• Purity: 95%