2,4,6-tris[chloro(difluoro)methyl]-1,3,5-triazine

C6Cl3F6N3 — CID 2778033

IUPAC2,4,6-tris[chloro(difluoro)methyl]-1,3,5-triazine
SMILESFC(F)(Cl)c1nc(C(F)(F)Cl)nc(C(F)(F)Cl)n1
InChIInChI=1S/C6Cl3F6N3/c7-4(10,11)1-16-2(5(8,12)13)18-3(17-1)6(9,14)15
InChIKeyMYPGWKSSWURUMJ-UHFFFAOYSA-N
MW334.43 g/mol
LogP3.74
Rot. Bonds3

About 2,4,6-tris[chloro(difluoro)methyl]-1,3,5-triazine

2,4,6-tris[chloro(difluoro)methyl]-1,3,5-triazine (PubChem CID 2778033) has the molecular formula C6Cl3F6N3 and a molecular weight of 334.43 g/mol. Its IUPAC name is 2,4,6-tris[chloro(difluoro)methyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris[chloro(difluoro)methyl]-1,3,5-triazine
PubChem CID2778033
Molecular FormulaC6Cl3F6N3
Molecular Weight334.43 g/mol
Exact Mass332.91
IUPAC Name2,4,6-tris[chloro(difluoro)methyl]-1,3,5-triazine
SMILESFC(F)(Cl)c1nc(C(F)(F)Cl)nc(C(F)(F)Cl)n1
InChIInChI=1S/C6Cl3F6N3/c7-4(10,11)1-16-2(5(8,12)13)18-3(17-1)6(9,14)15
InChIKeyMYPGWKSSWURUMJ-UHFFFAOYSA-N
XLogP3.74
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris[chloro(difluoro)methyl]-1,3,5-triazine?
The IUPAC name of 2,4,6-tris[chloro(difluoro)methyl]-1,3,5-triazine (CID 2778033) is 2,4,6-tris[chloro(difluoro)methyl]-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris[chloro(difluoro)methyl]-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris[chloro(difluoro)methyl]-1,3,5-triazine is FC(F)(Cl)c1nc(C(F)(F)Cl)nc(C(F)(F)Cl)n1.
What is the InChIKey of 2,4,6-tris[chloro(difluoro)methyl]-1,3,5-triazine?
The InChIKey is MYPGWKSSWURUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Cl3F6N3/c7-4(10,11)1-16-2(5(8,12)13)18-3(17-1)6(9,14)15.
What are the key properties of 2,4,6-tris[chloro(difluoro)methyl]-1,3,5-triazine?
2,4,6-tris[chloro(difluoro)methyl]-1,3,5-triazine has a molecular weight of 334.43 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris[chloro(difluoro)methyl]-1,3,5-triazine is sourced from PubChem (CID 2778033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).