4-hydrazinyl-5,7-bis(trifluoromethyl)quinoline

• ChemBase ID: 93713
• Molecular Formular: C11H7F6N3
• Molecular Mass: 295.1837992
• Monoisotopic Mass: 295.05441656
• SMILES: n1ccc(c2c(cc(cc12)C(F)(F)F)C(F)(F)F)NN
• Canonical SMILES: NNc1ccnc2c1c(cc(c2)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C11H7F6N3/c12-10(13,14)5-3-6(11(15,16)17)9-7(20-18)1-2-19-8(9)4-5/h1-4H,18H2,(H,19,20)
• InChIKey: CXDHWSBUWFUCFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinyl-5,7-bis(trifluoromethyl)quinoline
• IUPAC Traditional name: 4-hydrazinyl-5,7-bis(trifluoromethyl)quinoline
• Synonyms: 5,7-Bis(trifluoromethyl)-4-hydrazinoquinoline

Database IDs

• PubChem SID: 162104912
• PubChem CID: 45933593

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.9889472
• LogD (pH = 7.4): 3.27302
• Log P: 3.27824
• Molar Refractivity: 61.6334 cm^3
• Polarizability: 21.972689 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Air Sensitive/Store Cold