4-fluoro-N,N-dimethylaniline

• ChemBase ID: 7711
• Molecular Formular: C8H10FN
• Molecular Mass: 139.1701032
• Monoisotopic Mass: 139.07972755
• SMILES: c1c(ccc(c1)N(C)C)F
• Canonical SMILES: CN(c1ccc(cc1)F)C
• InChI: InChI=1S/C8H10FN/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,1-2H3
• InChIKey: YJEHCGOJNJUOII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-N,N-dimethylaniline
• IUPAC Traditional name: 4-fluoro-N,N-dimethylaniline
• Synonyms: 4-Fluoro-N,N-dimethylaniline

Database IDs

• CAS Number: 403-46-3
• MDL Number: MFCD00059471
• PubChem SID: 160971018
• PubChem CID: 136249

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.192388
• LogD (pH = 7.4): 2.2235792
• Log P: 2.2239916
• Molar Refractivity: 40.703 cm^3
• Polarizability: 14.801728 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 36°C

Safety Information

• TSCA Listed: false