bis(pentafluoroethyl)(trifluoromethyl)amine

• ChemBase ID: 128876
• Molecular Formular: C5F13N
• Molecular Mass: 321.0394416
• Monoisotopic Mass: 320.98231587
• SMILES: C(C(F)(F)F)(N(C(C(F)(F)F)(F)F)C(F)(F)F)(F)F
• Canonical SMILES: FC(N(C(C(F)(F)F)(F)F)C(C(F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C5F13N/c6-1(7,8)3(12,13)19(5(16,17)18)4(14,15)2(9,10)11
• InChIKey: KMPITNDOTGKQSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(pentafluoroethyl)(trifluoromethyl)amine
• IUPAC Traditional name: perfluoromethyldiethylamine
• Synonyms: Perfluoromethyldiethylamine

Database IDs

• CAS Number: 758-48-5
• PubChem SID: 162223179
• PubChem CID: 136571
• Wikipedia Title: Perfluoromethyldiethylamine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.385422
• LogD (pH = 7.4): 5.385422
• Log P: 5.385422
• Molar Refractivity: 28.6256 cm^3
• Polarizability: 12.077264 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: -123.05°C (150.1K)