2-(3-bromo-5-fluorophenoxy)-4,6-dichloro-1,3,5-triazine

C9H3BrCl2FN3O — CID 81332174

IUPAC2-(3-bromo-5-fluorophenoxy)-4,6-dichloro-1,3,5-triazine
SMILESFc1cc(Br)cc(Oc2nc(Cl)nc(Cl)n2)c1
InChIInChI=1S/C9H3BrCl2FN3O/c10-4-1-5(13)3-6(2-4)17-9-15-7(11)14-8(12)16-9/h1-3H
InChIKeyQCRDSFBZHYZLBT-UHFFFAOYSA-N
MW338.95 g/mol
LogP3.87
Rot. Bonds2

About 2-(3-bromo-5-fluorophenoxy)-4,6-dichloro-1,3,5-triazine

2-(3-bromo-5-fluorophenoxy)-4,6-dichloro-1,3,5-triazine (PubChem CID 81332174) has the molecular formula C9H3BrCl2FN3O and a molecular weight of 338.95 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenoxy)-4,6-dichloro-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenoxy)-4,6-dichloro-1,3,5-triazine
PubChem CID81332174
Molecular FormulaC9H3BrCl2FN3O
Molecular Weight338.95 g/mol
Exact Mass336.88
IUPAC Name2-(3-bromo-5-fluorophenoxy)-4,6-dichloro-1,3,5-triazine
SMILESFc1cc(Br)cc(Oc2nc(Cl)nc(Cl)n2)c1
InChIInChI=1S/C9H3BrCl2FN3O/c10-4-1-5(13)3-6(2-4)17-9-15-7(11)14-8(12)16-9/h1-3H
InChIKeyQCRDSFBZHYZLBT-UHFFFAOYSA-N
XLogP3.87
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.95
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenoxy)-4,6-dichloro-1,3,5-triazine?
The IUPAC name of 2-(3-bromo-5-fluorophenoxy)-4,6-dichloro-1,3,5-triazine (CID 81332174) is 2-(3-bromo-5-fluorophenoxy)-4,6-dichloro-1,3,5-triazine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenoxy)-4,6-dichloro-1,3,5-triazine?
The canonical SMILES for 2-(3-bromo-5-fluorophenoxy)-4,6-dichloro-1,3,5-triazine is Fc1cc(Br)cc(Oc2nc(Cl)nc(Cl)n2)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenoxy)-4,6-dichloro-1,3,5-triazine?
The InChIKey is QCRDSFBZHYZLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3BrCl2FN3O/c10-4-1-5(13)3-6(2-4)17-9-15-7(11)14-8(12)16-9/h1-3H.
What are the key properties of 2-(3-bromo-5-fluorophenoxy)-4,6-dichloro-1,3,5-triazine?
2-(3-bromo-5-fluorophenoxy)-4,6-dichloro-1,3,5-triazine has a molecular weight of 338.95 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenoxy)-4,6-dichloro-1,3,5-triazine is sourced from PubChem (CID 81332174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).