1-(4-fluoropyridin-2-yl)cyclopropan-1-amine

• ChemBase ID: 815164
• Molecular Formular: C8H9FN2
• Molecular Mass: 152.1688632
• Monoisotopic Mass: 152.07497652
• SMILES: C1(CC1)(N)c1nccc(c1)F
• Canonical SMILES: NC1(CC1)c1nccc(c1)F
• InChI: InChI=1S/C8H9FN2/c9-6-1-4-11-7(5-6)8(10)2-3-8/h1,4-5H,2-3,10H2
• InChIKey: RHNYUFQYFNAEER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-fluoropyridin-2-yl)cyclopropan-1-amine
• IUPAC Traditional name: 1-(4-fluoropyridin-2-yl)cyclopropan-1-amine
• Synonyms: 1-(4-fluoropyridin-2-yl)cyclopropanamine

Database IDs

• CAS Number: 1060809-45-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9030117
• LogD (pH = 7.4): -0.30552343
• Log P: 0.79922736
• Molar Refractivity: 39.3197 cm^3
• Polarizability: 15.413335 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%