2-(trifluoromethyl)imidazo[1,2-a]pyrazine

• ChemBase ID: 38373
• Molecular Formular: C7H4F3N3
• Molecular Mass: 187.1219696
• Monoisotopic Mass: 187.0357318
• SMILES: c12cnccn1cc(n2)C(F)(F)F
• Canonical SMILES: FC(c1cn2c(n1)cncc2)(F)F
• InChI: InChI=1S/C7H4F3N3/c8-7(9,10)5-4-13-2-1-11-3-6(13)12-5/h1-4H
• InChIKey: GZOZMIOBJGXNBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(trifluoromethyl)imidazo[1,2-a]pyrazine
• IUPAC Traditional name: 2-(trifluoromethyl)imidazo[1,2-a]pyrazine
• Synonyms: 2-(Trifluoromethyl)-imidazo[1,2-a]pyrazine

Database IDs

• CAS Number: 109113-96-4
• MDL Number: MFCD05248878
• PubChem SID: 161001680
• PubChem CID: 3231306

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.8042746
• LogD (pH = 7.4): 0.8055594
• Log P: 0.8055758
• Molar Refractivity: 39.3812 cm^3
• Polarizability: 13.769134 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%