1-(4-decylphenyl)-2,2,2-trifluoroethan-1-amine

• ChemBase ID: 806871
• Molecular Formular: C18H28F3N
• Molecular Mass: 315.4168296
• Monoisotopic Mass: 315.21738456
• SMILES: NC(C(F)(F)F)c1ccc(cc1)CCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCc1ccc(cc1)C(C(F)(F)F)N
• InChI: InChI=1S/C18H28F3N/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(14-12-15)17(22)18(19,20)21/h11-14,17H,2-10,22H2,1H3
• InChIKey: KFRIXKUGXCOYEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-decylphenyl)-2,2,2-trifluoroethan-1-amine
• IUPAC Traditional name: 1-(4-decylphenyl)-2,2,2-trifluoroethanamine
• Synonyms: 1-(4-DECYL-PHENYL)-2,2,2-TRIFLUORO-ETHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 6.5389876
• LogD (pH = 7.4): 6.627168
• Log P: 6.628417
• Molar Refractivity: 86.1019 cm^3
• Polarizability: 32.960705 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%