1-(difluoromethyl)-4-methylnaphthalene

• ChemBase ID: 51412
• Molecular Formular: C12H10F2
• Molecular Mass: 192.2046064
• Monoisotopic Mass: 192.07505676
• SMILES: c1(ccc(c2ccccc12)C)C(F)F
• Canonical SMILES: FC(c1ccc(c2c1cccc2)C)F
• InChI: InChI=1S/C12H10F2/c1-8-6-7-11(12(13)14)10-5-3-2-4-9(8)10/h2-7,12H,1H3
• InChIKey: HIAZKKZLEVLELB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(difluoromethyl)-4-methylnaphthalene
• IUPAC Traditional name: 1-(difluoromethyl)-4-methylnaphthalene
• Synonyms: 1-(Difluoromethyl)-4-methylnaphthalene

Database IDs

• MDL Number: MFCD16140202
• PubChem SID: 162056175
• PubChem CID: 53408199

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.865232
• LogD (pH = 7.4): 3.865232
• Log P: 3.865232
• Molar Refractivity: 52.6334 cm^3
• Polarizability: 20.785013 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%