{[3-(trifluoromethyl)phenyl]methyl}hydrazine dihydrochloride

• ChemBase ID: 242712
• Molecular Formular: C8H11Cl2F3N2
• Molecular Mass: 263.0875496
• Monoisotopic Mass: 262.02513838
• SMILES: C(c1cc(CNN)ccc1)(F)(F)F.Cl.Cl
• Canonical SMILES: NNCc1cccc(c1)C(F)(F)F.Cl.Cl
• InChI: InChI=1S/C8H9F3N2.2ClH/c9-8(10,11)7-3-1-2-6(4-7)5-13-12;;/h1-4,13H,5,12H2;2*1H
• InChIKey: NUKYOOXHNAWDOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[3-(trifluoromethyl)phenyl]methyl}hydrazine dihydrochloride
• IUPAC Traditional name: {[3-(trifluoromethyl)phenyl]methyl}hydrazine dihydrochloride
• Synonyms: {[3-(trifluoromethyl)phenyl]methyl}hydrazine dihydrochloride

Database IDs

• MDL Number: MFCD16990612
• PubChem SID: 164298622
• PubChem CID: 50998244

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.6032853
• LogD (pH = 7.4): 1.7892367
• Log P: 1.7922074
• Molar Refractivity: 55.482 cm^3
• Polarizability: 16.132568 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.587

Product Information

• Purity: 95%