3-fluoro-5-methylaniline

• ChemBase ID: 68818
• Molecular Formular: C7H8FN
• Molecular Mass: 125.1435232
• Monoisotopic Mass: 125.06407748
• SMILES: Nc1cc(cc(c1)C)F
• Canonical SMILES: Cc1cc(N)cc(c1)F
• InChI: InChI=1S/C7H8FN/c1-5-2-6(8)4-7(9)3-5/h2-4H,9H2,1H3
• InChIKey: DPHBKGYVIHTBDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-5-methylaniline
• IUPAC Traditional name: 3-fluoro-5-methylaniline
• Synonyms: 3-Amino-5-fluorotoluene; 5-Fluoro-m-toluidine; 3-Fluoro-5-methylaniline 98%; 3-Fluoro-5-methylaniline

Database IDs

• CAS Number: 52215-41-5
• MDL Number: MFCD00077538
• PubChem SID: 162034548
• PubChem CID: 2778458

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.795995
• LogD (pH = 7.4): 1.8003869
• Log P: 1.8004432
• Molar Refractivity: 36.016 cm^3
• Polarizability: 12.891181 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.837

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 97%