4-hydrazinyl-8-(trifluoromethyl)quinoline

• ChemBase ID: 99514
• Molecular Formular: C10H8F3N3
• Molecular Mass: 227.1858296
• Monoisotopic Mass: 227.06703193
• SMILES: n1ccc(c2cccc(c12)C(F)(F)F)NN
• Canonical SMILES: NNc1ccnc2c1cccc2C(F)(F)F
• InChI: InChI=1S/C10H8F3N3/c11-10(12,13)7-3-1-2-6-8(16-14)4-5-15-9(6)7/h1-5H,14H2,(H,15,16)
• InChIKey: CJQJNVOPMJTCHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinyl-8-(trifluoromethyl)quinoline
• IUPAC Traditional name: 4-hydrazinyl-8-(trifluoromethyl)quinoline
• Synonyms: 4-Hydrazino-8-(trifluoromethyl)quinoline; 4-HYDRAZINO-8-TRIFLUOROMETHYL-QUINOLINE; 4-hydrazinyl-8-(trifluoromethyl)quinoline

Database IDs

• CAS Number: 57369-92-3
• MDL Number: MFCD00272472
• PubChem SID: 162085778
• PubChem CID: 15151238

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.0949807
• LogD (pH = 7.4): 2.3955426
• Log P: 2.4003916
• Molar Refractivity: 55.6597 cm^3
• Polarizability: 20.51519 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.179

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%; 98%