1-(4-fluoropyridin-3-yl)cyclopropan-1-amine

• ChemBase ID: 815165
• Molecular Formular: C8H9FN2
• Molecular Mass: 152.1688632
• Monoisotopic Mass: 152.07497652
• SMILES: C1(CC1)(N)c1cnccc1F
• Canonical SMILES: Fc1ccncc1C1(N)CC1
• InChI: InChI=1S/C8H9FN2/c9-7-1-4-11-5-6(7)8(10)2-3-8/h1,4-5H,2-3,10H2
• InChIKey: GBXWSWNEZUSEMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-fluoropyridin-3-yl)cyclopropan-1-amine
• IUPAC Traditional name: 1-(4-fluoropyridin-3-yl)cyclopropan-1-amine
• Synonyms: 1-(4-fluoropyridin-3-yl)cyclopropanamine

Database IDs

• CAS Number: 1060809-47-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4329624
• LogD (pH = 7.4): -0.9936617
• Log P: 0.41337702
• Molar Refractivity: 39.6917 cm^3
• Polarizability: 15.412177 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%