4-[2-(trifluoromethoxy)phenoxy]piperidine

• ChemBase ID: 288877
• Molecular Formular: C12H14F3NO2
• Molecular Mass: 261.2402696
• Monoisotopic Mass: 261.09766335
• SMILES: FC(F)(F)Oc1c(OC2CCNCC2)cccc1
• Canonical SMILES: FC(Oc1ccccc1OC1CCNCC1)(F)F
• InChI: InChI=1S/C12H14F3NO2/c13-12(14,15)18-11-4-2-1-3-10(11)17-9-5-7-16-8-6-9/h1-4,9,16H,5-8H2
• InChIKey: UXSFSVYZILNPEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(trifluoromethoxy)phenoxy]piperidine
• IUPAC Traditional name: 4-[2-(trifluoromethoxy)phenoxy]piperidine
• Synonyms: 4-(2-(Trifluoromethoxy)phenoxy)piperidine

Database IDs

• CAS Number: 902836-49-1
• MDL Number: MFCD08061004
• PubChem SID: 180674408
• PubChem CID: 24208830

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.31695426
• LogD (pH = 7.4): 0.5273654
• Log P: 2.8904443
• Molar Refractivity: 55.7479 cm^3
• Polarizability: 22.857996 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%