[2-(diethylamino)ethyl](3,3,3-trifluoropropyl)amine

• ChemBase ID: 236195
• Molecular Formular: C9H19F3N2
• Molecular Mass: 212.2557696
• Monoisotopic Mass: 212.15003328
• SMILES: C(CCNCCN(CC)CC)(F)(F)F
• Canonical SMILES: CCN(CCNCCC(F)(F)F)CC
• InChI: InChI=1S/C9H19F3N2/c1-3-14(4-2)8-7-13-6-5-9(10,11)12/h13H,3-8H2,1-2H3
• InChIKey: CYHJFWKIQMHEPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(diethylamino)ethyl](3,3,3-trifluoropropyl)amine
• IUPAC Traditional name: [2-(diethylamino)ethyl](3,3,3-trifluoropropyl)amine
• Synonyms: [2-(diethylamino)ethyl](3,3,3-trifluoropropyl)amine

Database IDs

• MDL Number: MFCD18262796
• PubChem SID: 164292105
• PubChem CID: 60684061

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1023657
• LogD (pH = 7.4): -0.5458814
• Log P: 1.4793316
• Molar Refractivity: 52.1116 cm^3
• Polarizability: 19.597296 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.811

Product Information

• Purity: 95%