(2,2-dimethylpropyl)(2,2,2-trifluoroethyl)amine

• ChemBase ID: 270955
• Molecular Formular: C7H14F3N
• Molecular Mass: 169.1879696
• Monoisotopic Mass: 169.10783411
• SMILES: C(F)(F)(F)CNCC(C)(C)C
• Canonical SMILES: CC(CNCC(F)(F)F)(C)C
• InChI: InChI=1S/C7H14F3N/c1-6(2,3)4-11-5-7(8,9)10/h11H,4-5H2,1-3H3
• InChIKey: MNBRJXRYFIUFTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12776009
• PubChem SID: 164326865
• PubChem CID: 50986356

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.0152364
• LogD (pH = 7.4): 2.377249
• Log P: 2.3845217
• Molar Refractivity: 38.2858 cm^3
• Polarizability: 14.464586 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.131

Product Information

• Purity: 95%