methyl(2,2,2-trifluoroethyl)amine

• ChemBase ID: 256976
• Molecular Formular: C3H6F3N
• Molecular Mass: 113.0816496
• Monoisotopic Mass: 113.04523386
• SMILES: C(F)(F)(F)CNC
• Canonical SMILES: CNCC(F)(F)F
• InChI: InChI=1S/C3H6F3N/c1-7-2-3(4,5)6/h7H,2H2,1H3
• InChIKey: XZYJNHZNHGUSNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(2,2,2-trifluoroethyl)amine
• IUPAC Traditional name: methyl(2,2,2-trifluoroethyl)amine
• Synonyms: N-methyl-N-(2,2,2-trifluoroethyl)amine; 2,2,2-trifluoro-N-methylethanamine

Database IDs

• CAS Number: 2730-67-8
• MDL Number: MFCD08445796
• PubChem SID: 164312886
• PubChem CID: 520301

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.55274457
• LogD (pH = 7.4): 0.7588408
• Log P: 0.76221776
• Molar Refractivity: 20.1435 cm^3
• Polarizability: 7.3910728 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.77

Product Information

• Purity: 95%