2-chloro-N-(2-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide

• ChemBase ID: 252114
• Molecular Formular: C11H11ClF3NO2
• Molecular Mass: 281.6587496
• Monoisotopic Mass: 281.04304094
• SMILES: N(c1c(OC)cccc1)(C(=O)CCl)CC(F)(F)F
• Canonical SMILES: ClCC(=O)N(c1ccccc1OC)CC(F)(F)F
• InChI: InChI=1S/C11H11ClF3NO2/c1-18-9-5-3-2-4-8(9)16(10(17)6-12)7-11(13,14)15/h2-5H,6-7H2,1H3
• InChIKey: QRUACVSZNUZBKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(2-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide
• IUPAC Traditional name: 2-chloro-N-(2-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide
• Synonyms: 2-chloro-N-(2-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide

Database IDs

• MDL Number: MFCD07852046
• PubChem SID: 164308024
• PubChem CID: 9118355

CALCULATED PROPERTIES

• Acid pKa: 16.681343
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.409791
• LogD (pH = 7.4): 2.409791
• Log P: 2.409791
• Molar Refractivity: 60.7034 cm^3
• Polarizability: 22.750895 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.012

Product Information

• Purity: 95%