N-ethyl-3,4-difluoroaniline

• ChemBase ID: 255574
• Molecular Formular: C8H9F2N
• Molecular Mass: 157.1605664
• Monoisotopic Mass: 157.07030573
• SMILES: c1(cc(NCC)ccc1F)F
• Canonical SMILES: CCNc1ccc(c(c1)F)F
• InChI: InChI=1S/C8H9F2N/c1-2-11-6-3-4-7(9)8(10)5-6/h3-5,11H,2H2,1H3
• InChIKey: WWONUZXEGYMTKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-3,4-difluoroaniline
• IUPAC Traditional name: N-ethyl-3,4-difluoroaniline
• Synonyms: N-(3,4-difluorophenyl)-N-ethylamine

Database IDs

• MDL Number: MFCD11099404
• PubChem SID: 164311484
• PubChem CID: 18334273

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.0614402
• LogD (pH = 7.4): 2.087888
• Log P: 2.0882359
• Molar Refractivity: 41.4332 cm^3
• Polarizability: 14.537419 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.794

Product Information

• Purity: 95%