1-(2-fluorophenyl)cyclobutan-1-amine

• ChemBase ID: 804250
• Molecular Formular: C10H12FN
• Molecular Mass: 165.2073832
• Monoisotopic Mass: 165.09537761
• SMILES: C1(CCC1)(N)c1c(cccc1)F
• Canonical SMILES: Fc1ccccc1C1(N)CCC1
• InChI: InChI=1S/C10H12FN/c11-9-5-2-1-4-8(9)10(12)6-3-7-10/h1-2,4-5H,3,6-7,12H2
• InChIKey: AXNNZTURGGNMJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-fluorophenyl)cyclobutan-1-amine
• IUPAC Traditional name: 1-(2-fluorophenyl)cyclobutan-1-amine
• Synonyms: 1-(2-FLUOROPHENYL)CYCLOBUTANAMINE

Database IDs

• CAS Number: 1017391-62-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.8967466
• LogD (pH = 7.4): 0.14962856
• Log P: 2.075618
• Molar Refractivity: 46.4496 cm^3
• Polarizability: 18.134367 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%