N-(7-fluoro-9H-fluoren-2-yl)acetamide

• ChemBase ID: 136893
• Molecular Formular: C15H12FNO
• Molecular Mass: 241.2602832
• Monoisotopic Mass: 241.09029223
• SMILES: CC(=O)Nc1ccc2c(c1)Cc1c2ccc(c1)F
• Canonical SMILES: CC(=O)Nc1ccc2c(c1)Cc1c2ccc(c1)F
• InChI: InChI=1S/C15H12FNO/c1-9(18)17-13-3-5-15-11(8-13)6-10-7-12(16)2-4-14(10)15/h2-5,7-8H,6H2,1H3,(H,17,18)
• InChIKey: UAGZFYAGROGZQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(7-fluoro-9H-fluoren-2-yl)acetamide
• IUPAC Traditional name: N-(7-fluoro-9H-fluoren-2-yl)acetamide
• Synonyms: 2-Acetamido-7-fluorofluorene; 2-乙酰氨基-7-氟芴

Database IDs

• CAS Number: 343-89-5
• MDL Number: MFCD00010773
• PubChem SID: 162231160
• PubChem CID: 9575

CALCULATED PROPERTIES

• Acid pKa: 14.314409
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.1194317
• LogD (pH = 7.4): 3.1194317
• Log P: 3.1194317
• Molar Refractivity: 69.9528 cm^3
• Polarizability: 26.832077 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C15H12FNO