4-(2,2-difluoroethoxy)aniline

• ChemBase ID: 286430
• Molecular Formular: C8H9F2NO
• Molecular Mass: 173.1599664
• Monoisotopic Mass: 173.06522035
• SMILES: C(COc1ccc(N)cc1)(F)F
• Canonical SMILES: FC(COc1ccc(cc1)N)F
• InChI: InChI=1S/C8H9F2NO/c9-8(10)5-12-7-3-1-6(11)2-4-7/h1-4,8H,5,11H2
• InChIKey: LJBLGEVQJBDSGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,2-difluoroethoxy)aniline
• IUPAC Traditional name: 4-(2,2-difluoroethoxy)aniline
• Synonyms: 4-(2,2-difluoroethoxy)aniline

Database IDs

• MDL Number: MFCD08700289
• PubChem SID: 180671961
• PubChem CID: 459263

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.381075
• LogD (pH = 7.4): 1.4519999
• Log P: 1.4529843
• Molar Refractivity: 41.782 cm^3
• Polarizability: 15.344953 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.579

Product Information

• Purity: 95%