ethyl(pyrrolidin-3-ylmethyl)(2,2,2-trifluoroethyl)amine

• ChemBase ID: 286091
• Molecular Formular: C9H17F3N2
• Molecular Mass: 210.2398896
• Monoisotopic Mass: 210.13438321
• SMILES: C(CN(CC1CNCC1)CC)(F)(F)F
• Canonical SMILES: CCN(CC(F)(F)F)CC1CNCC1
• InChI: InChI=1S/C9H17F3N2/c1-2-14(7-9(10,11)12)6-8-3-4-13-5-8/h8,13H,2-7H2,1H3
• InChIKey: YXBLQSNCJULLNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl(pyrrolidin-3-ylmethyl)(2,2,2-trifluoroethyl)amine
• IUPAC Traditional name: ethyl(pyrrolidin-3-ylmethyl)(2,2,2-trifluoroethyl)amine
• Synonyms: ethyl(pyrrolidin-3-ylmethyl)(2,2,2-trifluoroethyl)amine

Database IDs

• MDL Number: MFCD16715014
• PubChem SID: 180671622
• PubChem CID: 62370721

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0379078
• LogD (pH = 7.4): -1.9618378
• Log P: 1.2034206
• Molar Refractivity: 50.4614 cm^3
• Polarizability: 18.901604 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.012

Product Information

• Purity: 95%