[2-fluoro-3-methyl-6-(trifluoromethyl)phenyl]hydrazine

• ChemBase ID: 53016
• Molecular Formular: C8H8F4N2
• Molecular Mass: 208.1561328
• Monoisotopic Mass: 208.06236115
• SMILES: c1cc(c(c(c1C(F)(F)F)NN)F)C
• Canonical SMILES: NNc1c(F)c(C)ccc1C(F)(F)F
• InChI: InChI=1S/C8H8F4N2/c1-4-2-3-5(8(10,11)12)7(14-13)6(4)9/h2-3,14H,13H2,1H3
• InChIKey: JVGSQAUAPXBNAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-fluoro-3-methyl-6-(trifluoromethyl)phenyl]hydrazine
• IUPAC Traditional name: [2-fluoro-3-methyl-6-(trifluoromethyl)phenyl]hydrazine
• Synonyms: [2-Fluoro-3-methyl-6-(trifluoromethyl)phenyl]-hydrazine

Database IDs

• CAS Number: 927901-61-9
• MDL Number: MFCD03701064
• PubChem SID: 162057779
• PubChem CID: 45073532

CALCULATED PROPERTIES

• Acid pKa: 14.329767
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.8318088
• LogD (pH = 7.4): 2.8964756
• Log P: 2.8988602
• Molar Refractivity: 46.996 cm^3
• Polarizability: 15.703209 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%