9-(difluoromethyl)phenanthrene

• ChemBase ID: 66179
• Molecular Formular: C15H10F2
• Molecular Mass: 228.2367064
• Monoisotopic Mass: 228.07505676
• SMILES: c1cccc2c3ccccc3c(cc12)C(F)F
• Canonical SMILES: FC(c1cc2ccccc2c2c1cccc2)F
• InChI: InChI=1S/C15H10F2/c16-15(17)14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9,15H
• InChIKey: MHDIZQVBSLSBJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(difluoromethyl)phenanthrene
• IUPAC Traditional name: 9-(difluoromethyl)phenanthrene
• Synonyms: 9-(Difluoromethyl)phenanthrene

Database IDs

• MDL Number: MFCD11226626
• PubChem SID: 162031918
• PubChem CID: 45790569

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.341287
• LogD (pH = 7.4): 4.341287
• Log P: 4.341287
• Molar Refractivity: 64.0424 cm^3
• Polarizability: 26.570772 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: 97%