4-(4-fluorophenyl)oxan-4-amine

• ChemBase ID: 271801
• Molecular Formular: C11H14FNO
• Molecular Mass: 195.2333632
• Monoisotopic Mass: 195.10594229
• SMILES: C1(c2ccc(cc2)F)(N)CCOCC1
• Canonical SMILES: NC1(CCOCC1)c1ccc(cc1)F
• InChI: InChI=1S/C11H14FNO/c12-10-3-1-9(2-4-10)11(13)5-7-14-8-6-11/h1-4H,5-8,13H2
• InChIKey: FWBLYJGNTBGREE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-fluorophenyl)oxan-4-amine
• IUPAC Traditional name: 4-(4-fluorophenyl)oxan-4-amine
• Synonyms: 4-(4-fluorophenyl)oxan-4-amine

Database IDs

• MDL Number: MFCD09904388
• PubChem SID: 164327711
• PubChem CID: 24274288

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8858864
• LogD (pH = 7.4): -1.2218442
• Log P: 1.126671
• Molar Refractivity: 53.1129 cm^3
• Polarizability: 20.676498 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.859

Product Information

• Purity: 95%; 98%