O-[2-(trifluoromethyl)phenyl]hydroxylamine

• ChemBase ID: 242273
• Molecular Formular: C7H6F3NO
• Molecular Mass: 177.1238496
• Monoisotopic Mass: 177.04014848
• SMILES: C(c1c(ON)cccc1)(F)(F)F
• Canonical SMILES: NOc1ccccc1C(F)(F)F
• InChI: InChI=1S/C7H6F3NO/c8-7(9,10)5-3-1-2-4-6(5)12-11/h1-4H,11H2
• InChIKey: TVLXOGBRADDHAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: O-[2-(trifluoromethyl)phenyl]hydroxylamine
• IUPAC Traditional name: O-[2-(trifluoromethyl)phenyl]hydroxylamine
• Synonyms: O-[2-(trifluoromethyl)phenyl]hydroxylamine

Database IDs

• MDL Number: MFCD09029770
• PubChem SID: 164298183
• PubChem CID: 10035140

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1704617
• LogD (pH = 7.4): 2.173236
• Log P: 2.1732712
• Molar Refractivity: 38.0823 cm^3
• Polarizability: 13.768596 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.265

Product Information

• Purity: 95%