8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine

• ChemBase ID: 257347
• Molecular Formular: C9H15F3N2
• Molecular Mass: 208.2240096
• Monoisotopic Mass: 208.11873315
• SMILES: N1(C2CC(CC1CC2)N)CC(F)(F)F
• Canonical SMILES: NC1CC2CCC(C1)N2CC(F)(F)F
• InChI: InChI=1S/C9H15F3N2/c10-9(11,12)5-14-7-1-2-8(14)4-6(13)3-7/h6-8H,1-5,13H2
• InChIKey: FVEGNLPZFSQOKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine
• IUPAC Traditional name: 8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine
• Synonyms: 8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine

Database IDs

• MDL Number: MFCD11099665
• PubChem SID: 164313257
• PubChem CID: 18919607

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1456985
• LogD (pH = 7.4): -1.8140568
• Log P: 0.8817751
• Molar Refractivity: 47.7014 cm^3
• Polarizability: 18.208895 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.826

Product Information

• Purity: 95%