3,4-difluoro-N-methylaniline

• ChemBase ID: 263099
• Molecular Formular: C7H7F2N
• Molecular Mass: 143.1339864
• Monoisotopic Mass: 143.05465567
• SMILES: c1(cc(NC)ccc1F)F
• Canonical SMILES: CNc1ccc(c(c1)F)F
• InChI: InChI=1S/C7H7F2N/c1-10-5-2-3-6(8)7(9)4-5/h2-4,10H,1H3
• InChIKey: SULGSLUIIZBEEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-difluoro-N-methylaniline
• IUPAC Traditional name: 3,4-difluoro-N-methylaniline
• Synonyms: 3,4-difluoro-N-methylaniline

Database IDs

• MDL Number: MFCD11152726
• PubChem SID: 164319009
• PubChem CID: 20097109

CALCULATED PROPERTIES

• Polarizability: 12.721835 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.7155074
• LogD (pH = 7.4): 1.7312237
• Log P: 1.7314278
• Molar Refractivity: 36.6846 cm^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.265

Product Information

• Purity: 95%