8-benzyl-10-(trifluoromethyl)-8-azabicyclo[4.3.1]decan-10-ol

• ChemBase ID: 282127
• Molecular Formular: C17H22F3NO
• Molecular Mass: 313.3578896
• Monoisotopic Mass: 313.16534899
• SMILES: C1(C(F)(F)F)(C2CN(CC1CCCC2)Cc1ccccc1)O
• Canonical SMILES: FC(C1(O)C2CCCCC1CN(C2)Cc1ccccc1)(F)F
• InChI: InChI=1S/C17H22F3NO/c18-17(19,20)16(22)14-8-4-5-9-15(16)12-21(11-14)10-13-6-2-1-3-7-13/h1-3,6-7,14-15,22H,4-5,8-12H2
• InChIKey: DASFSIHNDDCPIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-benzyl-10-(trifluoromethyl)-8-azabicyclo[4.3.1]decan-10-ol
• IUPAC Traditional name: 8-benzyl-10-(trifluoromethyl)-8-azabicyclo[4.3.1]decan-10-ol
• Synonyms: 8-benzyl-10-(trifluoromethyl)-8-azabicyclo[4.3.1]decan-10-ol

Database IDs

• MDL Number: MFCD19442736
• PubChem SID: 180667658
• PubChem CID: 50990610

CALCULATED PROPERTIES

• Acid pKa: 10.932509
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.39745688
• LogD (pH = 7.4): 2.0664103
• Log P: 3.4956257
• Molar Refractivity: 79.8973 cm^3
• Polarizability: 30.442606 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.293

Product Information

• Purity: 95%