1-(2-fluorophenyl)guanidine

• ChemBase ID: 293403
• Molecular Formular: C7H8FN3
• Molecular Mass: 153.1569232
• Monoisotopic Mass: 153.07022549
• SMILES: NC(=N)Nc1ccccc1F
• Canonical SMILES: NC(=N)Nc1ccccc1F
• InChI: InChI=1S/C7H8FN3/c8-5-3-1-2-4-6(5)11-7(9)10/h1-4H,(H4,9,10,11)
• InChIKey: GOKVJPDWTFRCEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-fluorophenyl)guanidine; N-(2-fluorophenyl)guanidine
• IUPAC Traditional name: 1-(2-fluorophenyl)guanidine; N-(2-fluorophenyl)guanidine
• Synonyms: 1-(2-Fluorophenyl)guanidine; N-(2-Fluoro-phenyl)-guanidine

Database IDs

• CAS Number: 41213-65-4
• MDL Number: MFCD04114638
• PubChem SID: 180678934
• PubChem CID: 20434491

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.3176713
• LogD (pH = 7.4): -0.93807876
• Log P: 1.0899408
• Molar Refractivity: 52.4082 cm^3
• Polarizability: 14.860246 Å^3
• Polar Surface Area: 61.9 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 96%