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

C8H8Cl2IN3O — CID 173448509

IUPAC2,4-dichloro-6-(2-iodopent-1-enoxy)-1,3,5-triazine
SMILESCCCC(I)=COc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C8H8Cl2IN3O/c1-2-3-5(11)4-15-8-13-6(9)12-7(10)14-8/h4H,2-3H2,1H3
InChIKeyNQEVYUDMCBLYOC-UHFFFAOYSA-N
MW359.98 g/mol
LogP3.63
Rot. Bonds4

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

2,4-dichloro-6-(2-iodopent-1-enoxy)-1,3,5-triazine (PubChem CID 173448509) has the molecular formula C8H8Cl2IN3O and a molecular weight of 359.98 g/mol. Its IUPAC name is 2,4-dichloro-6-(2-iodopent-1-enoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(2-iodopent-1-enoxy)-1,3,5-triazine
PubChem CID173448509
Molecular FormulaC8H8Cl2IN3O
Molecular Weight359.98 g/mol
Exact Mass358.91
IUPAC Name2,4-dichloro-6-(2-iodopent-1-enoxy)-1,3,5-triazine
SMILESCCCC(I)=COc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C8H8Cl2IN3O/c1-2-3-5(11)4-15-8-13-6(9)12-7(10)14-8/h4H,2-3H2,1H3
InChIKeyNQEVYUDMCBLYOC-UHFFFAOYSA-N
XLogP3.63
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.98
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(2-iodopent-1-enoxy)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(2-iodopent-1-enoxy)-1,3,5-triazine (CID 173448509) is 2,4-dichloro-6-(2-iodopent-1-enoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(2-iodopent-1-enoxy)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(2-iodopent-1-enoxy)-1,3,5-triazine is CCCC(I)=COc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-(2-iodopent-1-enoxy)-1,3,5-triazine?
The InChIKey is NQEVYUDMCBLYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2IN3O/c1-2-3-5(11)4-15-8-13-6(9)12-7(10)14-8/h4H,2-3H2,1H3.
What are the key properties of 2,4-dichloro-6-(2-iodopent-1-enoxy)-1,3,5-triazine?
2,4-dichloro-6-(2-iodopent-1-enoxy)-1,3,5-triazine has a molecular weight of 359.98 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(2-iodopent-1-enoxy)-1,3,5-triazine is sourced from PubChem (CID 173448509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).