2-[2-(trifluoromethyl)phenyl]pyrrolidine

• ChemBase ID: 269703
• Molecular Formular: C11H12F3N
• Molecular Mass: 215.2148896
• Monoisotopic Mass: 215.09218405
• SMILES: C(c1c(C2NCCC2)cccc1)(F)(F)F
• Canonical SMILES: FC(c1ccccc1C1CCCN1)(F)F
• InChI: InChI=1S/C11H12F3N/c12-11(13,14)9-5-2-1-4-8(9)10-6-3-7-15-10/h1-2,4-5,10,15H,3,6-7H2
• InChIKey: DRQIUNNVQDIWJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(trifluoromethyl)phenyl]pyrrolidine
• IUPAC Traditional name: 2-[2-(trifluoromethyl)phenyl]pyrrolidine
• Synonyms: 2-[2-(trifluoromethyl)phenyl]pyrrolidine

Database IDs

• MDL Number: MFCD02684094
• PubChem SID: 164325613
• PubChem CID: 3813474

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.35793
• LogD (pH = 7.4): 0.06069061
• Log P: 2.8750076
• Molar Refractivity: 52.4909 cm^3
• Polarizability: 19.521784 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.817

Product Information

• Purity: 95%