[2,5-bis(trifluoromethyl)phenyl]hydrazine

• ChemBase ID: 799626
• Molecular Formular: C8H6F6N2
• Molecular Mass: 244.1370592
• Monoisotopic Mass: 244.04351752
• SMILES: NNc1c(ccc(c1)C(F)(F)F)C(F)(F)F
• Canonical SMILES: NNc1cc(ccc1C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C8H6F6N2/c9-7(10,11)4-1-2-5(8(12,13)14)6(3-4)16-15/h1-3,16H,15H2
• InChIKey: KMKKQMBWSXMVDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2,5-bis(trifluoromethyl)phenyl]hydrazine
• IUPAC Traditional name: [2,5-bis(trifluoromethyl)phenyl]hydrazine
• Synonyms: (2,5-bis(trifluoromethyl)phenyl)hydrazine

Database IDs

• CAS Number: 711602-67-4

CALCULATED PROPERTIES

• Acid pKa: 17.524128
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.0094337
• LogD (pH = 7.4): 3.1189933
• Log P: 3.1205854
• Molar Refractivity: 47.7121 cm^3
• Polarizability: 15.759047 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%