3-cyclopropyl-2-(2-fluorophenyl)-1,3-thiazolidin-4-one

• ChemBase ID: 250302
• Molecular Formular: C12H12FNOS
• Molecular Mass: 237.2931832
• Monoisotopic Mass: 237.06236323
• SMILES: C1(N(C(=O)CS1)C1CC1)c1c(F)cccc1
• Canonical SMILES: O=C1CSC(N1C1CC1)c1ccccc1F
• InChI: InChI=1S/C12H12FNOS/c13-10-4-2-1-3-9(10)12-14(8-5-6-8)11(15)7-16-12/h1-4,8,12H,5-7H2
• InChIKey: MYVFNDBAEFQSQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-cyclopropyl-2-(2-fluorophenyl)-1,3-thiazolidin-4-one
• IUPAC Traditional name: 3-cyclopropyl-2-(2-fluorophenyl)-1,3-thiazolidin-4-one
• Synonyms: 3-cyclopropyl-2-(2-fluorophenyl)-1,3-thiazolidin-4-one

Database IDs

• MDL Number: MFCD07344323
• PubChem SID: 164306212
• PubChem CID: 16226746

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1296923
• LogD (pH = 7.4): 2.1296923
• Log P: 2.1296923
• Molar Refractivity: 61.7893 cm^3
• Polarizability: 23.873266 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.958

Product Information

• Purity: 95%