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

C9H4Cl2FN3O — CID 2782796

IUPAC2,4-dichloro-6-(4-fluorophenoxy)-1,3,5-triazine
SMILESFc1ccc(Oc2nc(Cl)nc(Cl)n2)cc1
InChIInChI=1S/C9H4Cl2FN3O/c10-7-13-8(11)15-9(14-7)16-6-3-1-5(12)2-4-6/h1-4H
InChIKeyAXBBKPROLZJRKM-UHFFFAOYSA-N
MW260.06 g/mol
LogP3.11
Rot. Bonds2

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

2,4-dichloro-6-(4-fluorophenoxy)-1,3,5-triazine (PubChem CID 2782796) has the molecular formula C9H4Cl2FN3O and a molecular weight of 260.06 g/mol. Its IUPAC name is 2,4-dichloro-6-(4-fluorophenoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(4-fluorophenoxy)-1,3,5-triazine
PubChem CID2782796
Molecular FormulaC9H4Cl2FN3O
Molecular Weight260.06 g/mol
Exact Mass258.97
IUPAC Name2,4-dichloro-6-(4-fluorophenoxy)-1,3,5-triazine
SMILESFc1ccc(Oc2nc(Cl)nc(Cl)n2)cc1
InChIInChI=1S/C9H4Cl2FN3O/c10-7-13-8(11)15-9(14-7)16-6-3-1-5(12)2-4-6/h1-4H
InChIKeyAXBBKPROLZJRKM-UHFFFAOYSA-N
XLogP3.11
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.06
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(4-fluorophenoxy)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(4-fluorophenoxy)-1,3,5-triazine (CID 2782796) is 2,4-dichloro-6-(4-fluorophenoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(4-fluorophenoxy)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(4-fluorophenoxy)-1,3,5-triazine is Fc1ccc(Oc2nc(Cl)nc(Cl)n2)cc1.
What is the InChIKey of 2,4-dichloro-6-(4-fluorophenoxy)-1,3,5-triazine?
The InChIKey is AXBBKPROLZJRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2FN3O/c10-7-13-8(11)15-9(14-7)16-6-3-1-5(12)2-4-6/h1-4H.
What are the key properties of 2,4-dichloro-6-(4-fluorophenoxy)-1,3,5-triazine?
2,4-dichloro-6-(4-fluorophenoxy)-1,3,5-triazine has a molecular weight of 260.06 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(4-fluorophenoxy)-1,3,5-triazine is sourced from PubChem (CID 2782796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).