1-(4-fluorophenyl)cyclobutan-1-amine

• ChemBase ID: 263935
• Molecular Formular: C10H12FN
• Molecular Mass: 165.2073832
• Monoisotopic Mass: 165.09537761
• SMILES: C1(c2ccc(cc2)F)(N)CCC1
• Canonical SMILES: NC1(CCC1)c1ccc(cc1)F
• InChI: InChI=1S/C10H12FN/c11-9-4-2-8(3-5-9)10(12)6-1-7-10/h2-5H,1,6-7,12H2
• InChIKey: PAPAYUQUJVLXAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-fluorophenyl)cyclobutan-1-amine
• IUPAC Traditional name: 1-(4-fluorophenyl)cyclobutan-1-amine
• Synonyms: 1-(4-fluorophenyl)cyclobutan-1-amine; 1-(4-FLUOROPHENYL)CYCLOBUTANAMINE

Database IDs

• CAS Number: 920501-69-5
• MDL Number: MFCD09904384
• PubChem SID: 164319845
• PubChem CID: 24274285

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.9322112
• LogD (pH = 7.4): -0.19845085
• Log P: 2.075618
• Molar Refractivity: 46.4496 cm^3
• Polarizability: 18.134537 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.14

Product Information

• Purity: 95%; 98%