ethyl(2,2,2-trifluoroethyl)amine

• ChemBase ID: 264036
• Molecular Formular: C4H8F3N
• Molecular Mass: 127.1082296
• Monoisotopic Mass: 127.06088392
• SMILES: C(F)(F)(F)CNCC
• Canonical SMILES: CCNCC(F)(F)F
• InChI: InChI=1S/C4H8F3N/c1-2-8-3-4(5,6)7/h8H,2-3H2,1H3
• InChIKey: GFQKFGQPVBTZOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl(2,2,2-trifluoroethyl)amine
• IUPAC Traditional name: ethyl(2,2,2-trifluoroethyl)amine
• Synonyms: ethyl(2,2,2-trifluoroethyl)amine; N-ethyl-2,2,2-trifluoroethanamine

Database IDs

• CAS Number: 58171-47-4
• MDL Number: MFCD09811395
• PubChem SID: 164319946
• PubChem CID: 12769779

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.88397205
• LogD (pH = 7.4): 1.1151155
• Log P: 1.1190257
• Molar Refractivity: 24.8921 cm^3
• Polarizability: 9.130846 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.804

Product Information

• Purity: 95%; 98%