2-(1,1-difluoroethyl)pyrazine

• ChemBase ID: 38376
• Molecular Formular: C6H6F2N2
• Molecular Mass: 144.1220464
• Monoisotopic Mass: 144.04990464
• SMILES: c1(cnccn1)C(C)(F)F
• Canonical SMILES: CC(c1nccnc1)(F)F
• InChI: InChI=1S/C6H6F2N2/c1-6(7,8)5-4-9-2-3-10-5/h2-4H,1H3
• InChIKey: OXKFWGSACYGCSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12546932
• PubChem SID: 161001683
• PubChem CID: 19763564

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.56090117
• LogD (pH = 7.4): 0.560902
• Log P: 0.560902
• Molar Refractivity: 31.478 cm^3
• Polarizability: 11.798156 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%