4-[4-(trifluoromethyl)phenoxy]benzaldehyde

• ChemBase ID: 293657
• Molecular Formular: C14H9F3O2
• Molecular Mass: 266.2152696
• Monoisotopic Mass: 266.05546419
• SMILES: O=Cc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1
• Canonical SMILES: O=Cc1ccc(cc1)Oc1ccc(cc1)C(F)(F)F
• InChI: InChI=1S/C14H9F3O2/c15-14(16,17)11-3-7-13(8-4-11)19-12-5-1-10(9-18)2-6-12/h1-9H
• InChIKey: RFPORHXEHBGCCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(trifluoromethyl)phenoxy]benzaldehyde
• IUPAC Traditional name: 4-[4-(trifluoromethyl)phenoxy]benzaldehyde
• Synonyms: 4-(4-(Trifluoromethyl)phenoxy)benzaldehyde

Database IDs

• CAS Number: 90035-20-4
• PubChem SID: 180679188
• PubChem CID: 13300844

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.063884
• LogD (pH = 7.4): 4.063884
• Log P: 4.063884
• Molar Refractivity: 64.8565 cm^3
• Polarizability: 23.62222 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%