[1-(4-fluoropyridin-2-yl)cyclopropyl]methanamine

• ChemBase ID: 815167
• Molecular Formular: C9H11FN2
• Molecular Mass: 166.1954432
• Monoisotopic Mass: 166.09062658
• SMILES: C(N)C1(CC1)c1nccc(c1)F
• Canonical SMILES: NCC1(CC1)c1nccc(c1)F
• InChI: InChI=1S/C9H11FN2/c10-7-1-4-12-8(5-7)9(6-11)2-3-9/h1,4-5H,2-3,6,11H2
• InChIKey: JPRCTAHGRRWPGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(4-fluoropyridin-2-yl)cyclopropyl]methanamine
• IUPAC Traditional name: [1-(4-fluoropyridin-2-yl)cyclopropyl]methanamine
• Synonyms: (1-(4-fluoropyridin-2-yl)cyclopropyl)methanamine

Database IDs

• CAS Number: 1060809-51-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9833689
• LogD (pH = 7.4): -0.8614108
• Log P: 0.97780305
• Molar Refractivity: 44.0414 cm^3
• Polarizability: 17.175072 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%