[1-(4-fluoropyridin-3-yl)cyclopropyl]methanamine

• ChemBase ID: 815168
• Molecular Formular: C9H11FN2
• Molecular Mass: 166.1954432
• Monoisotopic Mass: 166.09062658
• SMILES: C(N)C1(CC1)c1cnccc1F
• Canonical SMILES: NCC1(CC1)c1cnccc1F
• InChI: InChI=1S/C9H11FN2/c10-8-1-4-12-5-7(8)9(6-11)2-3-9/h1,4-5H,2-3,6,11H2
• InChIKey: HNHKJHYAWUGQMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(4-fluoropyridin-3-yl)cyclopropyl]methanamine
• IUPAC Traditional name: [1-(4-fluoropyridin-3-yl)cyclopropyl]methanamine
• Synonyms: (1-(4-fluoropyridin-3-yl)cyclopropyl)methanamine

Database IDs

• CAS Number: 1060809-53-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3723054
• LogD (pH = 7.4): -1.2627938
• Log P: 0.59195274
• Molar Refractivity: 44.4134 cm^3
• Polarizability: 17.175512 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%