(3-ethoxypropyl)(2,2,2-trifluoroethyl)amine

• ChemBase ID: 257442
• Molecular Formular: C7H14F3NO
• Molecular Mass: 185.1873696
• Monoisotopic Mass: 185.10274873
• SMILES: C(F)(F)(F)CNCCCOCC
• Canonical SMILES: CCOCCCNCC(F)(F)F
• InChI: InChI=1S/C7H14F3NO/c1-2-12-5-3-4-11-6-7(8,9)10/h11H,2-6H2,1H3
• InChIKey: DEIGBSBKWBZKLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-ethoxypropyl)(2,2,2-trifluoroethyl)amine
• IUPAC Traditional name: (3-ethoxypropyl)(2,2,2-trifluoroethyl)amine
• Synonyms: N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)amine

Database IDs

• MDL Number: MFCD11505435
• PubChem SID: 164313352
• PubChem CID: 28584533

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.87359846
• LogD (pH = 7.4): 1.1275852
• Log P: 1.13201
• Molar Refractivity: 40.801 cm^3
• Polarizability: 15.251482 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.74

Product Information

• Purity: 95%