2-(difluoromethyl)aniline

• ChemBase ID: 291185
• Molecular Formular: C7H7F2N
• Molecular Mass: 143.1339864
• Monoisotopic Mass: 143.05465567
• SMILES: Nc1ccccc1C(F)F
• Canonical SMILES: FC(c1ccccc1N)F
• InChI: InChI=1S/C7H7F2N/c8-7(9)5-3-1-2-4-6(5)10/h1-4,7H,10H2
• InChIKey: VZMLDJWNYZQBHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(difluoromethyl)aniline
• IUPAC Traditional name: 2-(difluoromethyl)aniline
• Synonyms: 2-(Difluoromethyl)aniline

Database IDs

• CAS Number: 67272-07-5
• MDL Number: MFCD18791596
• PubChem SID: 180676716
• PubChem CID: 66570654

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.5325432
• LogD (pH = 7.4): 1.533397
• Log P: 1.5334078
• Molar Refractivity: 35.8424 cm^3
• Polarizability: 12.774481 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%