3-fluoro-N,N-dimethylaniline

• ChemBase ID: 99817
• Molecular Formular: C8H10FN
• Molecular Mass: 139.1701032
• Monoisotopic Mass: 139.07972755
• SMILES: N(c1cccc(c1)F)(C)C
• Canonical SMILES: Fc1cccc(c1)N(C)C
• InChI: InChI=1S/C8H10FN/c1-10(2)8-5-3-4-7(9)6-8/h3-6H,1-2H3
• InChIKey: SDDGNMXIOGQCCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-N,N-dimethylaniline
• IUPAC Traditional name: 3-fluoro-N,N-dimethylaniline
• Synonyms: N,N-Dimethyl-3-fluoroaniline; 1-(Dimethylamino)-3-fluorobenzene; 3-fluoro-N,N-dimethylaniline

Database IDs

• MDL Number: MFCD01862042
• PubChem SID: 162086064
• PubChem CID: 586749

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2227988
• LogD (pH = 7.4): 2.2239766
• Log P: 2.2239916
• Molar Refractivity: 40.703 cm^3
• Polarizability: 14.801887 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.621

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%