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

• ChemBase ID: 282126
• Molecular Formular: C10H16F3NO
• Molecular Mass: 223.2353496
• Monoisotopic Mass: 223.1183988
• SMILES: C(C1(C2CNCC1CCCC2)O)(F)(F)F
• Canonical SMILES: OC1(C2CNCC1CCCC2)C(F)(F)F
• InChI: InChI=1S/C10H16F3NO/c11-10(12,13)9(15)7-3-1-2-4-8(9)6-14-5-7/h7-8,14-15H,1-6H2
• InChIKey: SNGDXPDTHZGOQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19442735
• PubChem SID: 180667657
• PubChem CID: 50990611

CALCULATED PROPERTIES

• Acid pKa: 11.025817
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.8327197
• LogD (pH = 7.4): -1.158259
• Log P: 0.99521047
• Molar Refractivity: 49.99 cm^3
• Polarizability: 19.202326 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.996

Product Information

• Purity: 95%