3-fluoro-4-methoxy-N-methylaniline

• ChemBase ID: 237672
• Molecular Formular: C8H10FNO
• Molecular Mass: 155.1695032
• Monoisotopic Mass: 155.07464217
• SMILES: c1(cc(NC)ccc1OC)F
• Canonical SMILES: CNc1ccc(c(c1)F)OC
• InChI: InChI=1S/C8H10FNO/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5,10H,1-2H3
• InChIKey: PSKWYWANKQMURA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-4-methoxy-N-methylaniline
• IUPAC Traditional name: 3-fluoro-4-methoxy-N-methylaniline
• Synonyms: 3-fluoro-4-methoxy-N-methylaniline

Database IDs

• MDL Number: MFCD12168829
• PubChem SID: 164293582
• PubChem CID: 21307269

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3103681
• LogD (pH = 7.4): 1.4293052
• Log P: 1.4310546
• Molar Refractivity: 42.9314 cm^3
• Polarizability: 15.505606 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.912

Product Information

• Purity: 95%