9-(trifluoromethyl)anthracene

• ChemBase ID: 66071
• Molecular Formular: C15H9F3
• Molecular Mass: 246.2271696
• Monoisotopic Mass: 246.06563495
• SMILES: c1cccc2cc3ccccc3c(c12)C(F)(F)F
• Canonical SMILES: FC(c1c2ccccc2cc2c1cccc2)(F)F
• InChI: InChI=1S/C15H9F3/c16-15(17,18)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H
• InChIKey: RMHPWQJEUXDWJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(trifluoromethyl)anthracene
• IUPAC Traditional name: 9-(trifluoromethyl)anthracene
• Synonyms: 9-(Trifluoromethyl)anthracene

Database IDs

• MDL Number: MFCD14525511
• PubChem SID: 162031810
• PubChem CID: 14716635

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.8300476
• LogD (pH = 7.4): 4.8300476
• Log P: 4.8300476
• Molar Refractivity: 64.9321 cm^3
• Polarizability: 26.215542 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%