(1-cyclopropylethyl)(2,2,2-trifluoroethyl)amine

• ChemBase ID: 234503
• Molecular Formular: C7H12F3N
• Molecular Mass: 167.1720896
• Monoisotopic Mass: 167.09218405
• SMILES: C(CNC(C1CC1)C)(F)(F)F
• Canonical SMILES: CC(C1CC1)NCC(F)(F)F
• InChI: InChI=1S/C7H12F3N/c1-5(6-2-3-6)11-4-7(8,9)10/h5-6,11H,2-4H2,1H3
• InChIKey: OHRMZVJKNLPGPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-cyclopropylethyl)(2,2,2-trifluoroethyl)amine
• IUPAC Traditional name: (1-cyclopropylethyl)(2,2,2-trifluoroethyl)amine
• Synonyms: N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)amine

Database IDs

• MDL Number: MFCD06357355
• PubChem SID: 164290413
• PubChem CID: 3838271

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.5699521
• LogD (pH = 7.4): 1.9514997
• Log P: 1.95937
• Molar Refractivity: 36.5043 cm^3
• Polarizability: 13.781315 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 139 - 141°C
• Hydrophobicity(logP): 2.052

Product Information

• Purity: 95%