2,4-bis(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazine

C6Cl6F3N3 — CID 19006224

IUPAC2,4-bis(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazine
SMILESFC(F)(F)c1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C6Cl6F3N3/c7-4(8,9)1-16-2(5(10,11)12)18-3(17-1)6(13,14)15
InChIKeyHPIDXXPTDPCZOG-UHFFFAOYSA-N
MW383.80 g/mol
LogP4.54
Rot. Bonds

About 2,4-bis(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazine

2,4-bis(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazine (PubChem CID 19006224) has the molecular formula C6Cl6F3N3 and a molecular weight of 383.80 g/mol. Its IUPAC name is 2,4-bis(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazine
PubChem CID19006224
Molecular FormulaC6Cl6F3N3
Molecular Weight383.80 g/mol
Exact Mass380.82
IUPAC Name2,4-bis(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazine
SMILESFC(F)(F)c1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C6Cl6F3N3/c7-4(8,9)1-16-2(5(10,11)12)18-3(17-1)6(13,14)15
InChIKeyHPIDXXPTDPCZOG-UHFFFAOYSA-N
XLogP4.54
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.80
LogP ≤ 54.54
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-bis(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazine?
The IUPAC name of 2,4-bis(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazine (CID 19006224) is 2,4-bis(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazine?
The canonical SMILES for 2,4-bis(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazine is FC(F)(F)c1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1.
What is the InChIKey of 2,4-bis(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazine?
The InChIKey is HPIDXXPTDPCZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Cl6F3N3/c7-4(8,9)1-16-2(5(10,11)12)18-3(17-1)6(13,14)15.
What are the key properties of 2,4-bis(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazine?
2,4-bis(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazine has a molecular weight of 383.80 g/mol, XLogP of 4.54, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazine is sourced from PubChem (CID 19006224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).