[2-(2,2,2-trifluoroethoxy)ethyl]hydrazine dihydrochloride

• ChemBase ID: 245241
• Molecular Formular: C4H11Cl2F3N2O
• Molecular Mass: 231.0441496
• Monoisotopic Mass: 230.020053
• SMILES: C(F)(F)(F)COCCNN.Cl.Cl
• Canonical SMILES: NNCCOCC(F)(F)F.Cl.Cl
• InChI: InChI=1S/C4H9F3N2O.2ClH/c5-4(6,7)3-10-2-1-9-8;;/h9H,1-3,8H2;2*1H
• InChIKey: CLPAJSCTXPZZSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(2,2,2-trifluoroethoxy)ethyl]hydrazine dihydrochloride
• IUPAC Traditional name: [2-(2,2,2-trifluoroethoxy)ethyl]hydrazine dihydrochloride
• Synonyms: [2-(2,2,2-trifluoroethoxy)ethyl]hydrazine dihydrochloride

Database IDs

• MDL Number: MFCD22741317
• PubChem SID: 164301151
• PubChem CID: 71757673

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.23274826
• LogD (pH = 7.4): 0.091803834
• Log P: 0.09800645
• Molar Refractivity: 41.3893 cm^3
• Polarizability: 11.275442 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 75 - 77°C
• Hydrophobicity(logP): -0.175

Product Information

• Purity: 95%