N-hydroxy-3-(trifluoromethyl)benzamide

• ChemBase ID: 257533
• Molecular Formular: C8H6F3NO2
• Molecular Mass: 205.1339496
• Monoisotopic Mass: 205.0350631
• SMILES: C(c1cc(C(=O)NO)ccc1)(F)(F)F
• Canonical SMILES: ONC(=O)c1cccc(c1)C(F)(F)F
• InChI: InChI=1S/C8H6F3NO2/c9-8(10,11)6-3-1-2-5(4-6)7(13)12-14/h1-4,14H,(H,12,13)
• InChIKey: LPFSRLLYUPAKNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-hydroxy-3-(trifluoromethyl)benzamide
• IUPAC Traditional name: N-hydroxy-3-(trifluoromethyl)benzamide
• Synonyms: N-hydroxy-3-(trifluoromethyl)benzamide

Database IDs

• MDL Number: MFCD00728273
• PubChem SID: 164313443
• PubChem CID: 599432

CALCULATED PROPERTIES

• Acid pKa: 9.614286
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.6985196
• LogD (pH = 7.4): 1.6959213
• Log P: 1.6985528
• Molar Refractivity: 42.8747 cm^3
• Polarizability: 15.199451 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.491

Product Information

• Purity: 95%