2-(1,1-difluoroethyl)naphthalene

• ChemBase ID: 66138
• Molecular Formular: C12H10F2
• Molecular Mass: 192.2046064
• Monoisotopic Mass: 192.07505676
• SMILES: c1c(ccc2ccccc12)C(F)(F)C
• Canonical SMILES: CC(c1ccc2c(c1)cccc2)(F)F
• InChI: InChI=1S/C12H10F2/c1-12(13,14)11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3
• InChIKey: RXONBWDKWZKXMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1,1-difluoroethyl)naphthalene
• IUPAC Traditional name: 2-(1,1-difluoroethyl)naphthalene
• Synonyms: 2-(1,1-Difluoroethyl)naphthalene

Database IDs

• MDL Number: MFCD14525564
• PubChem SID: 162031877
• PubChem CID: 45790995

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.5998733
• LogD (pH = 7.4): 3.5998733
• Log P: 3.5998733
• Molar Refractivity: 52.614 cm^3
• Polarizability: 20.861454 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%