2-fluoro-N,N-dimethylaniline

• ChemBase ID: 98007
• Molecular Formular: C8H10FN
• Molecular Mass: 139.1701032
• Monoisotopic Mass: 139.07972755
• SMILES: N(c1ccccc1F)(C)C
• Canonical SMILES: CN(c1ccccc1F)C
• InChI: InChI=1S/C8H10FN/c1-10(2)8-6-4-3-5-7(8)9/h3-6H,1-2H3
• InChIKey: DUMMWWNKDSKGRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-N,N-dimethylaniline
• IUPAC Traditional name: 2-fluoro-N,N-dimethylaniline
• Synonyms: N,N-Dimethyl-2-fluoroaniline; 1-(Dimethylamino)-2-fluorobenzene

Database IDs

• MDL Number: MFCD01862018
• PubChem SID: 162084480
• PubChem CID: 2774264

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2239792
• LogD (pH = 7.4): 2.2239914
• Log P: 2.2239916
• Molar Refractivity: 40.703 cm^3
• Polarizability: 14.803018 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant