tert-butyl(2,2,2-trifluoroethyl)amine

• ChemBase ID: 284402
• Molecular Formular: C6H12F3N
• Molecular Mass: 155.1613896
• Monoisotopic Mass: 155.09218405
• SMILES: C(CNC(C)(C)C)(F)(F)F
• Canonical SMILES: FC(CNC(C)(C)C)(F)F
• InChI: InChI=1S/C6H12F3N/c1-5(2,3)10-4-6(7,8)9/h10H,4H2,1-3H3
• InChIKey: PGHJGVBGEAGNEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl(2,2,2-trifluoroethyl)amine
• IUPAC Traditional name: tert-butyl(2,2,2-trifluoroethyl)amine
• Synonyms: tert-butyl(2,2,2-trifluoroethyl)amine

Database IDs

• MDL Number: MFCD11557734
• PubChem SID: 180669933
• PubChem CID: 20626700

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.5091364
• LogD (pH = 7.4): 1.8105904
• Log P: 1.8161774
• Molar Refractivity: 33.9491 cm^3
• Polarizability: 12.673184 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.512

Product Information

• Purity: 95%