(1R)-1-(4-fluorophenyl)propyl acetate

• ChemBase ID: 248223
• Molecular Formular: C11H13FO2
• Molecular Mass: 196.2181232
• Monoisotopic Mass: 196.08995788
• SMILES: O(C(=O)C)[C@@H](c1ccc(cc1)F)CC
• Canonical SMILES: CC[C@H](c1ccc(cc1)F)OC(=O)C
• InChI: InChI=1S/C11H13FO2/c1-3-11(14-8(2)13)9-4-6-10(12)7-5-9/h4-7,11H,3H2,1-2H3/t11-/m1/s1
• InChIKey: VGONXVXXUMHENH-LLVKDONJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-1-(4-fluorophenyl)propyl acetate
• IUPAC Traditional name: (1R)-1-(4-fluorophenyl)propyl acetate
• Synonyms: (1R)-1-(4-fluorophenyl)propyl acetate

Database IDs

• PubChem SID: 164304133
• PubChem CID: 11138029

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7288208
• LogD (pH = 7.4): 2.7288208
• Log P: 2.7288208
• Molar Refractivity: 51.1846 cm^3
• Polarizability: 19.969633 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.941

Product Information

• Purity: 95%