O-(2,2,2-trifluoroethyl)hydroxylamine hydrochloride

• ChemBase ID: 239385
• Molecular Formular: C2H5ClF3NO
• Molecular Mass: 151.5154096
• Monoisotopic Mass: 151.00117613
• SMILES: C(CON)(F)(F)F.Cl
• Canonical SMILES: NOCC(F)(F)F.Cl
• InChI: InChI=1S/C2H4F3NO.ClH/c3-2(4,5)1-7-6;/h1,6H2;1H
• InChIKey: MIQJCHKNVAHUGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: O-(2,2,2-trifluoroethyl)hydroxylamine hydrochloride
• IUPAC Traditional name: O-(2,2,2-trifluoroethyl)hydroxylamine hydrochloride
• Synonyms: O-(2,2,2-trifluoroethyl)hydroxylamine hydrochloride

Database IDs

• MDL Number: MFCD13196692
• PubChem SID: 164295295
• PubChem CID: 19853822

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.56600505
• LogD (pH = 7.4): 0.59221596
• Log P: 0.5925606
• Molar Refractivity: 17.7811 cm^3
• Polarizability: 6.516449 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 168 - 170°C
• Hydrophobicity(logP): -0.76

Product Information

• Purity: 95%