2-fluoro-N-methylaniline hydrochloride

• ChemBase ID: 293242
• Molecular Formular: C7H9ClFN
• Molecular Mass: 161.6044632
• Monoisotopic Mass: 161.04075519
• SMILES: CNc1ccccc1F.Cl
• Canonical SMILES: CNc1ccccc1F.Cl
• InChI: InChI=1S/C7H8FN.ClH/c1-9-7-5-3-2-4-6(7)8;/h2-5,9H,1H3;1H
• InChIKey: FDWUPJDGVSNCAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-N-methylaniline hydrochloride
• IUPAC Traditional name: 2-fluoro-N-methylaniline hydrochloride
• Synonyms: 2-Fluoro-N-methylaniline hydrochloride

Database IDs

• CAS Number: 1187386-14-6
• MDL Number: MFCD12756438
• PubChem SID: 180678773
• PubChem CID: 46739563

CALCULATED PROPERTIES

• Acid pKa: 19.44044
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.5867006
• LogD (pH = 7.4): 1.5887003
• Log P: 1.5887259
• Molar Refractivity: 36.4682 cm^3
• Polarizability: 12.966618 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%