4-fluorophenyl 4-chlorobutanoate

• ChemBase ID: 240189
• Molecular Formular: C10H10ClFO2
• Molecular Mass: 216.6366032
• Monoisotopic Mass: 216.03533546
• SMILES: C(=O)(Oc1ccc(F)cc1)CCCCl
• Canonical SMILES: ClCCCC(=O)Oc1ccc(cc1)F
• InChI: InChI=1S/C10H10ClFO2/c11-7-1-2-10(13)14-9-5-3-8(12)4-6-9/h3-6H,1-2,7H2
• InChIKey: LNIOENWBUQOOEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluorophenyl 4-chlorobutanoate
• IUPAC Traditional name: 4-fluorophenyl 4-chlorobutanoate
• Synonyms: 4-fluorophenyl 4-chlorobutanoate

Database IDs

• MDL Number: MFCD06358654
• PubChem SID: 164296099
• PubChem CID: 2517689

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7862265
• LogD (pH = 7.4): 2.7862265
• Log P: 2.7862265
• Molar Refractivity: 51.6144 cm^3
• Polarizability: 20.012936 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.695

Product Information

• Purity: 95%