2-chloro-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole

• ChemBase ID: 237211
• Molecular Formular: C10H5ClF3NS
• Molecular Mass: 263.6666096
• Monoisotopic Mass: 262.97833251
• SMILES: n1c(c2c(C(F)(F)F)cccc2)csc1Cl
• Canonical SMILES: Clc1scc(n1)c1ccccc1C(F)(F)F
• InChI: InChI=1S/C10H5ClF3NS/c11-9-15-8(5-16-9)6-3-1-2-4-7(6)10(12,13)14/h1-5H
• InChIKey: UVWXGPLFWPZGQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole
• IUPAC Traditional name: 2-chloro-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole
• Synonyms: 2-chloro-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole

Database IDs

• MDL Number: MFCD11220008
• PubChem SID: 164293121
• PubChem CID: 62943086

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.4569764
• LogD (pH = 7.4): 4.456977
• Log P: 4.456977
• Molar Refractivity: 57.0302 cm^3
• Polarizability: 22.181694 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.234

Product Information

• Purity: 95%