O-(3,3,3-trifluoropropyl)hydroxylamine hydrochloride

• ChemBase ID: 241608
• Molecular Formular: C3H7ClF3NO
• Molecular Mass: 165.5419896
• Monoisotopic Mass: 165.01682619
• SMILES: C(CCON)(F)(F)F.Cl
• Canonical SMILES: NOCCC(F)(F)F.Cl
• InChI: InChI=1S/C3H6F3NO.ClH/c4-3(5,6)1-2-8-7;/h1-2,7H2;1H
• InChIKey: GBVOLUQNPMGCOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: O-(3,3,3-trifluoropropyl)hydroxylamine hydrochloride
• IUPAC Traditional name: O-(3,3,3-trifluoropropyl)hydroxylamine hydrochloride
• Synonyms: O-(3,3,3-trifluoropropyl)hydroxylamine hydrochloride

Database IDs

• MDL Number: MFCD13196696
• PubChem SID: 164297518
• PubChem CID: 23103183

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.70143616
• LogD (pH = 7.4): 0.73404133
• Log P: 0.7344733
• Molar Refractivity: 22.2329 cm^3
• Polarizability: 8.21445 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.281

Product Information

• Purity: 95%