(2-phenylethyl)(2,2,2-trifluoroethyl)amine

• ChemBase ID: 122757
• Molecular Formular: C10H12F3N
• Molecular Mass: 203.2041896
• Monoisotopic Mass: 203.09218405
• SMILES: C(F)(F)(F)CNCCc1ccccc1
• Canonical SMILES: FC(CNCCc1ccccc1)(F)F
• InChI: InChI=1S/C10H12F3N/c11-10(12,13)8-14-7-6-9-4-2-1-3-5-9/h1-5,14H,6-8H2
• InChIKey: LHOKFYXJNQUUPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-phenylethyl)(2,2,2-trifluoroethyl)amine
• IUPAC Traditional name: (2-phenylethyl)(2,2,2-trifluoroethyl)amine
• Synonyms: 2,2,2-trifluoro-N-phenethylethanamine

Database IDs

• PubChem SID: 162217110
• PubChem CID: 13555607

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6015131
• LogD (pH = 7.4): 2.7726684
• Log P: 2.775352
• Molar Refractivity: 49.5111 cm^3
• Polarizability: 18.355131 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true