2-chloro-6-(2,2,3,3-tetrafluoropropoxy)pyrazine

• ChemBase ID: 264583
• Molecular Formular: C7H5ClF4N2O
• Molecular Mass: 244.5740128
• Monoisotopic Mass: 244.00265335
• SMILES: C(C(F)F)(COc1nc(Cl)cnc1)(F)F
• Canonical SMILES: FC(C(COc1cncc(n1)Cl)(F)F)F
• InChI: InChI=1S/C7H5ClF4N2O/c8-4-1-13-2-5(14-4)15-3-7(11,12)6(9)10/h1-2,6H,3H2
• InChIKey: FFSYCDLXLWQBFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-(2,2,3,3-tetrafluoropropoxy)pyrazine
• IUPAC Traditional name: 2-chloro-6-(2,2,3,3-tetrafluoropropoxy)pyrazine
• Synonyms: 2-chloro-6-(2,2,3,3-tetrafluoropropoxy)pyrazine

Database IDs

• MDL Number: MFCD11197521
• PubChem SID: 164320493
• PubChem CID: 29004768

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9658872
• LogD (pH = 7.4): 1.9658875
• Log P: 1.9658875
• Molar Refractivity: 43.6154 cm^3
• Polarizability: 16.369753 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.454

Product Information

• Purity: 95%