2-chloro-4-(2,4-difluorophenoxy)-6-methoxy-1,3,5-triazine

• ChemBase ID: 95337
• Molecular Formular: C10H6ClF2N3O2
• Molecular Mass: 273.6233464
• Monoisotopic Mass: 273.01166057
• SMILES: n1c(nc(nc1Oc1ccc(cc1F)F)OC)Cl
• Canonical SMILES: COc1nc(nc(n1)Cl)Oc1ccc(cc1F)F
• InChI: InChI=1S/C10H6ClF2N3O2/c1-17-9-14-8(11)15-10(16-9)18-7-3-2-5(12)4-6(7)13/h2-4H,1H3
• InChIKey: QQPBVLCDMHRNHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-(2,4-difluorophenoxy)-6-methoxy-1,3,5-triazine
• IUPAC Traditional name: 2-chloro-4-(2,4-difluorophenoxy)-6-methoxy-1,3,5-triazine
• Synonyms: 2-chloro-4-(2,4-difluorophenoxy)-6-methoxy-1,3,5-triazine

Database IDs

• MDL Number: MFCD00117421
• PubChem SID: 162081987
• PubChem CID: 2779596

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.749874
• LogD (pH = 7.4): 3.749874
• Log P: 3.749874
• Molar Refractivity: 61.049 cm^3
• Polarizability: 22.20948 Å^3
• Polar Surface Area: 57.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true