4-(2,4-difluorophenyl)oxan-4-amine

• ChemBase ID: 244486
• Molecular Formular: C11H13F2NO
• Molecular Mass: 213.2238264
• Monoisotopic Mass: 213.09652048
• SMILES: c1(c(cc(cc1)F)F)C1(N)CCOCC1
• Canonical SMILES: Fc1ccc(c(c1)F)C1(N)CCOCC1
• InChI: InChI=1S/C11H13F2NO/c12-8-1-2-9(10(13)7-8)11(14)3-5-15-6-4-11/h1-2,7H,3-6,14H2
• InChIKey: ZPXBPIHUFAUKEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,4-difluorophenyl)oxan-4-amine
• IUPAC Traditional name: 4-(2,4-difluorophenyl)oxan-4-amine
• Synonyms: 4-(2,4-difluorophenyl)oxan-4-amine

Database IDs

• MDL Number: MFCD18296266
• PubChem SID: 164300396
• PubChem CID: 63220130

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.708141
• LogD (pH = 7.4): -0.6939696
• Log P: 1.2693729
• Molar Refractivity: 53.3293 cm^3
• Polarizability: 20.403591 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.002

Product Information

• Purity: 95%