difluoro(pentafluoroethyl)amine

• ChemBase ID: 128874
• Molecular Formular: C2F7N
• Molecular Mass: 171.0169224
• Monoisotopic Mass: 170.99189655
• SMILES: C(C(F)(F)F)(N(F)F)(F)F
• Canonical SMILES: FN(C(C(F)(F)F)(F)F)F
• InChI: InChI=1S/C2F7N/c3-1(4,5)2(6,7)10(8)9
• InChIKey: XEIJMVGQZDKEPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: difluoro(pentafluoroethyl)amine
• IUPAC Traditional name: perfluoroethanamine
• Synonyms: Bis(trifluoromethyl)fluoroamineHeptafluoro-ethanamine; Perfluoroethanamine

Database IDs

• CAS Number: 354-80-3
• PubChem SID: 162223177
• PubChem CID: 136190
• Wikipedia Title: Perfluoroethanamine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.512877
• LogD (pH = 7.4): 1.512877
• Log P: 1.512877
• Molar Refractivity: 17.7154 cm^3
• Polarizability: 6.321439 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true