2,3-bis(trifluoromethyl)pyrazine

• ChemBase ID: 66062
• Molecular Formular: C6H2F6N2
• Molecular Mass: 216.0838992
• Monoisotopic Mass: 216.01221739
• SMILES: c1cnc(c(n1)C(F)(F)F)C(F)(F)F
• Canonical SMILES: FC(c1nccnc1C(F)(F)F)(F)F
• InChI: InChI=1S/C6H2F6N2/c7-5(8,9)3-4(6(10,11)12)14-2-1-13-3/h1-2H
• InChIKey: ABHLZHRGCQAXEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-bis(trifluoromethyl)pyrazine
• IUPAC Traditional name: 2,3-bis(trifluoromethyl)pyrazine
• Synonyms: 2,3-Bis(trifluoromethyl)pyrazine

Database IDs

• MDL Number: MFCD11226566
• PubChem SID: 162031801
• PubChem CID: 45790520

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0652986
• LogD (pH = 7.4): 2.0652986
• Log P: 2.0652986
• Molar Refractivity: 32.9476 cm^3
• Polarizability: 11.842618 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%