4-[3-(trifluoromethyl)phenoxy]piperidine

• ChemBase ID: 306968
• Molecular Formular: C12H14F3NO
• Molecular Mass: 245.2408696
• Monoisotopic Mass: 245.10274873
• SMILES: C(c1cc(OC2CCNCC2)ccc1)(F)(F)F
• Canonical SMILES: FC(c1cccc(c1)OC1CCNCC1)(F)F
• InChI: InChI=1S/C12H14F3NO/c13-12(14,15)9-2-1-3-11(8-9)17-10-4-6-16-7-5-10/h1-3,8,10,16H,4-7H2
• InChIKey: BYJVBLFZMKBFMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(trifluoromethyl)phenoxy]piperidine
• IUPAC Traditional name: 4-[3-(trifluoromethyl)phenoxy]piperidine
• Synonyms: 4-[3-(trifluoromethyl)phenoxy]piperidine

Database IDs

• CAS Number: 337912-66-0
• MDL Number: MFCD08059671

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8702175
• LogD (pH = 7.4): -0.025898894
• Log P: 2.3371813
• Molar Refractivity: 58.6513 cm^3
• Polarizability: 22.086561 Å^3
• Polar Surface Area: 21.26 Å^2