methyl(2,2,2-trifluoro-1-phenylethyl)amine

• ChemBase ID: 270223
• Molecular Formular: C9H10F3N
• Molecular Mass: 189.1776096
• Monoisotopic Mass: 189.07653399
• SMILES: C(C(c1ccccc1)NC)(F)(F)F
• Canonical SMILES: CNC(C(F)(F)F)c1ccccc1
• InChI: InChI=1S/C9H10F3N/c1-13-8(9(10,11)12)7-5-3-2-4-6-7/h2-6,8,13H,1H3
• InChIKey: PARXLQDTVSGAAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(2,2,2-trifluoro-1-phenylethyl)amine
• IUPAC Traditional name: methyl(2,2,2-trifluoro-1-phenylethyl)amine
• Synonyms: methyl(2,2,2-trifluoro-1-phenylethyl)amine

Database IDs

• MDL Number: MFCD12182028
• PubChem SID: 164326133
• PubChem CID: 23512865

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.469643
• LogD (pH = 7.4): 2.5454013
• Log P: 2.546458
• Molar Refractivity: 44.4263 cm^3
• Polarizability: 16.609858 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.283

Product Information

• Purity: 95%