4-fluoro-1-N,1-N-dimethylbenzene-1,2-diamine

• ChemBase ID: 47710
• Molecular Formular: C8H11FN2
• Molecular Mass: 154.1847432
• Monoisotopic Mass: 154.09062658
• SMILES: c1(c(ccc(c1)F)N(C)C)N
• Canonical SMILES: Fc1ccc(c(c1)N)N(C)C
• InChI: InChI=1S/C8H11FN2/c1-11(2)8-4-3-6(9)5-7(8)10/h3-5H,10H2,1-2H3
• InChIKey: LVAHUVKVINUZTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-1-N,1-N-dimethylbenzene-1,2-diamine
• IUPAC Traditional name: 4-fluoro-1-N,1-N-dimethylbenzene-1,2-diamine
• Synonyms: 4-Fluoro-N~1~,N~1~-dimethyl-1,2-benzenediamine

Database IDs

• MDL Number: MFCD11135679
• PubChem SID: 162052473
• PubChem CID: 28411819

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3816942
• LogD (pH = 7.4): 1.3948947
• Log P: 1.3950657
• Molar Refractivity: 45.4034 cm^3
• Polarizability: 15.953888 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false