4-(4-fluorobenzenesulfonyl)morpholine

• ChemBase ID: 252126
• Molecular Formular: C10H12FNO3S
• Molecular Mass: 245.2705832
• Monoisotopic Mass: 245.05219247
• SMILES: S(=O)(=O)(N1CCOCC1)c1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)S(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C10H12FNO3S/c11-9-1-3-10(4-2-9)16(13,14)12-5-7-15-8-6-12/h1-4H,5-8H2
• InChIKey: LDBBCISSYGDVIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-fluorobenzenesulfonyl)morpholine
• IUPAC Traditional name: 4-(4-fluorobenzenesulfonyl)morpholine
• Synonyms: 4-[(4-fluorophenyl)sulfonyl]morpholine

Database IDs

• CAS Number: 383-23-3
• MDL Number: MFCD00194713
• PubChem SID: 164308036
• PubChem CID: 755377

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.9508302
• LogD (pH = 7.4): 0.9508302
• Log P: 0.9508302
• Molar Refractivity: 57.3002 cm^3
• Polarizability: 22.716402 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.426

Product Information

• Purity: 95%