1-N-ethyl-4-fluorobenzene-1,2-diamine

• ChemBase ID: 260218
• Molecular Formular: C8H11FN2
• Molecular Mass: 154.1847432
• Monoisotopic Mass: 154.09062658
• SMILES: c1(cc(ccc1NCC)F)N
• Canonical SMILES: CCNc1ccc(cc1N)F
• InChI: InChI=1S/C8H11FN2/c1-2-11-8-4-3-6(9)5-7(8)10/h3-5,11H,2,10H2,1H3
• InChIKey: MWWCJCWHUBZEIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-N-ethyl-4-fluorobenzene-1,2-diamine
• IUPAC Traditional name: 1-N-ethyl-4-fluorobenzene-1,2-diamine
• Synonyms: 1-N-ethyl-4-fluorobenzene-1,2-diamine

Database IDs

• MDL Number: MFCD06408847
• PubChem SID: 164316128
• PubChem CID: 21286303

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.96832633
• LogD (pH = 7.4): 1.1143861
• Log P: 1.1166079
• Molar Refractivity: 45.9172 cm^3
• Polarizability: 15.954443 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.472

Product Information

• Purity: 95%