N-(2,2,2-trifluoroethyl)cyclopentanamine

• ChemBase ID: 234861
• Molecular Formular: C7H12F3N
• Molecular Mass: 167.1720896
• Monoisotopic Mass: 167.09218405
• SMILES: C(CNC1CCCC1)(F)(F)F
• Canonical SMILES: FC(CNC1CCCC1)(F)F
• InChI: InChI=1S/C7H12F3N/c8-7(9,10)5-11-6-3-1-2-4-6/h6,11H,1-5H2
• InChIKey: YDZJAXDALRSDQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,2,2-trifluoroethyl)cyclopentanamine
• IUPAC Traditional name: N-(2,2,2-trifluoroethyl)cyclopentanamine
• Synonyms: N-(2,2,2-trifluoroethyl)cyclopentanamine

Database IDs

• MDL Number: MFCD09936569
• PubChem SID: 164290771
• PubChem CID: 24697797

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.7276429
• LogD (pH = 7.4): 2.1090536
• Log P: 2.1169195
• Molar Refractivity: 36.5567 cm^3
• Polarizability: 13.781315 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.747

Product Information

• Purity: 95%