2-(chloromethyl)oxirane;2,4,6-trichloro-1,3,5-triazine

C6H5Cl4N3O — CID 87972654

IUPAC2-(chloromethyl)oxirane;2,4,6-trichloro-1,3,5-triazine
SMILESClCC1CO1.Clc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C3Cl3N3.C3H5ClO/c4-1-7-2(5)9-3(6)8-1;4-1-3-2-5-3/h;3H,1-2H2
InChIKeyWXRUWIHDYBIPJW-UHFFFAOYSA-N
MW276.94 g/mol
LogP2.46
Rot. Bonds1

About 2-(chloromethyl)oxirane;2,4,6-trichloro-1,3,5-triazine

2-(chloromethyl)oxirane;2,4,6-trichloro-1,3,5-triazine (PubChem CID 87972654) has the molecular formula C6H5Cl4N3O and a molecular weight of 276.94 g/mol. Its IUPAC name is 2-(chloromethyl)oxirane;2,4,6-trichloro-1,3,5-triazine.

Molecular Properties

Compound Name2-(chloromethyl)oxirane;2,4,6-trichloro-1,3,5-triazine
PubChem CID87972654
Molecular FormulaC6H5Cl4N3O
Molecular Weight276.94 g/mol
Exact Mass274.92
IUPAC Name2-(chloromethyl)oxirane;2,4,6-trichloro-1,3,5-triazine
SMILESClCC1CO1.Clc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C3Cl3N3.C3H5ClO/c4-1-7-2(5)9-3(6)8-1;4-1-3-2-5-3/h;3H,1-2H2
InChIKeyWXRUWIHDYBIPJW-UHFFFAOYSA-N
XLogP2.46
TPSA51.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.94
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)oxirane;2,4,6-trichloro-1,3,5-triazine?
The IUPAC name of 2-(chloromethyl)oxirane;2,4,6-trichloro-1,3,5-triazine (CID 87972654) is 2-(chloromethyl)oxirane;2,4,6-trichloro-1,3,5-triazine.
What is the SMILES notation for 2-(chloromethyl)oxirane;2,4,6-trichloro-1,3,5-triazine?
The canonical SMILES for 2-(chloromethyl)oxirane;2,4,6-trichloro-1,3,5-triazine is ClCC1CO1.Clc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2-(chloromethyl)oxirane;2,4,6-trichloro-1,3,5-triazine?
The InChIKey is WXRUWIHDYBIPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3Cl3N3.C3H5ClO/c4-1-7-2(5)9-3(6)8-1;4-1-3-2-5-3/h;3H,1-2H2.
What are the key properties of 2-(chloromethyl)oxirane;2,4,6-trichloro-1,3,5-triazine?
2-(chloromethyl)oxirane;2,4,6-trichloro-1,3,5-triazine has a molecular weight of 276.94 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)oxirane;2,4,6-trichloro-1,3,5-triazine is sourced from PubChem (CID 87972654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).