2-cyclopentyl-6-(trifluoromethyl)morpholine

• ChemBase ID: 282902
• Molecular Formular: C10H16F3NO
• Molecular Mass: 223.2353496
• Monoisotopic Mass: 223.1183988
• SMILES: C(C1OC(C2CCCC2)CNC1)(F)(F)F
• Canonical SMILES: FC(C1CNCC(O1)C1CCCC1)(F)F
• InChI: InChI=1S/C10H16F3NO/c11-10(12,13)9-6-14-5-8(15-9)7-3-1-2-4-7/h7-9,14H,1-6H2
• InChIKey: PQRFYIAFENWTLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopentyl-6-(trifluoromethyl)morpholine
• IUPAC Traditional name: 2-cyclopentyl-6-(trifluoromethyl)morpholine
• Synonyms: 2-cyclopentyl-6-(trifluoromethyl)morpholine

Database IDs

• MDL Number: MFCD21602439
• PubChem SID: 180668433
• PubChem CID: 73994595

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.14163105
• LogD (pH = 7.4): 1.8375266
• Log P: 2.332966
• Molar Refractivity: 49.7024 cm^3
• Polarizability: 19.266861 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.626

Product Information

• Purity: 95%