4-(2-methoxyethoxy)-2-(trifluoromethyl)aniline hydrochloride

• ChemBase ID: 20251
• Molecular Formular: C10H13ClF3NO2
• Molecular Mass: 271.6639296
• Monoisotopic Mass: 271.058691
• SMILES: c1(C(F)(F)F)c(ccc(c1)OCCOC)N.Cl
• Canonical SMILES: COCCOc1ccc(c(c1)C(F)(F)F)N.Cl
• InChI: InChI=1S/C10H12F3NO2.ClH/c1-15-4-5-16-7-2-3-9(14)8(6-7)10(11,12)13;/h2-3,6H,4-5,14H2,1H3;1H
• InChIKey: FIAUPDLROFWTCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-methoxyethoxy)-2-(trifluoromethyl)aniline hydrochloride
• IUPAC Traditional name: 4-(2-methoxyethoxy)-2-(trifluoromethyl)aniline hydrochloride
• Synonyms: 4-(2-Methoxyethoxy)-2-(trifluoromethyl)aniline hydrochloride

Database IDs

• MDL Number: MFCD10687210
• PubChem SID: 160983558
• PubChem CID: 45792198

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8160754
• LogD (pH = 7.4): 1.8175033
• Log P: 1.8175216
• Molar Refractivity: 54.2388 cm^3
• Polarizability: 19.594774 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.23

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%