9,9-difluoro-9,10-dihydroacridine

• ChemBase ID: 66154
• Molecular Formular: C13H9F2N
• Molecular Mass: 217.2140664
• Monoisotopic Mass: 217.07030573
• SMILES: c1cccc2Nc3ccccc3C(c12)(F)F
• Canonical SMILES: FC1(F)c2ccccc2Nc2c1cccc2
• InChI: InChI=1S/C13H9F2N/c14-13(15)9-5-1-3-7-11(9)16-12-8-4-2-6-10(12)13/h1-8,16H
• InChIKey: ZGFJELBXRKBSFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9,9-difluoro-9,10-dihydroacridine
• IUPAC Traditional name: 9,9-difluoro-10H-acridine
• Synonyms: 9,9-Difluoro-9,10-dihydroacridine

Database IDs

• MDL Number: MFCD16140154
• PubChem SID: 162031893
• PubChem CID: 54772253

CALCULATED PROPERTIES

• Acid pKa: 17.001778
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.7877939
• LogD (pH = 7.4): 3.7877939
• Log P: 3.7877939
• Molar Refractivity: 58.2904 cm^3
• Polarizability: 21.540411 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%