dimethyl(1,1,2,2-tetrafluoroethyl)amine

• ChemBase ID: 100370
• Molecular Formular: C4H7F4N
• Molecular Mass: 145.0986928
• Monoisotopic Mass: 145.05146211
• SMILES: N(C)(C(C(F)F)(F)F)C
• Canonical SMILES: FC(C(N(C)C)(F)F)F
• InChI: InChI=1S/C4H7F4N/c1-9(2)4(7,8)3(5)6/h3H,1-2H3
• InChIKey: VIRGYRZBWQFJGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(1,1,2,2-tetrafluoroethyl)amine
• IUPAC Traditional name: dimethyl(1,1,2,2-tetrafluoroethyl)amine
• Synonyms: TFEDMA; N,N-Dimethyl-1,1,2,2-tetrafluoroethylamine 97%

Database IDs

• CAS Number: 1550-50-1
• MDL Number: MFCD08461915
• PubChem SID: 162086998
• PubChem CID: 21945697

CALCULATED PROPERTIES

• Acid pKa: 19.83524
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5046439
• LogD (pH = 7.4): 1.5046439
• Log P: 1.5046439
• Molar Refractivity: 25.1136 cm^3
• Polarizability: 9.143754 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 32°C/127mm
• Density: 1.22