2-chloro-4,6-bis(4-fluorophenoxy)-1,3,5-triazine

• ChemBase ID: 95336
• Molecular Formular: C15H8ClF2N3O2
• Molecular Mass: 335.6927264
• Monoisotopic Mass: 335.02731063
• SMILES: n1c(nc(nc1Oc1ccc(cc1)F)Cl)Oc1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)Oc1nc(Oc2ccc(cc2)F)nc(n1)Cl
• InChI: InChI=1S/C15H8ClF2N3O2/c16-13-19-14(22-11-5-1-9(17)2-6-11)21-15(20-13)23-12-7-3-10(18)4-8-12/h1-8H
• InChIKey: MZTWBBFWXVZWEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4,6-bis(4-fluorophenoxy)-1,3,5-triazine
• IUPAC Traditional name: 2-chloro-4,6-bis(4-fluorophenoxy)-1,3,5-triazine
• Synonyms: 2-chloro-4,6-di(4-fluorophenoxy)-1,3,5-triazine

Database IDs

• MDL Number: MFCD00663123
• PubChem SID: 162081986
• PubChem CID: 2779594

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.4078326
• LogD (pH = 7.4): 5.4078326
• Log P: 5.4078326
• Molar Refractivity: 80.8266 cm^3
• Polarizability: 29.841042 Å^3
• Polar Surface Area: 57.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false