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

C5HCl3F3N3 — CID 19888786

IUPAC2-(trichloromethyl)-4-(trifluoromethyl)-1,3,5-triazine
SMILESFC(F)(F)c1ncnc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C5HCl3F3N3/c6-4(7,8)2-12-1-13-3(14-2)5(9,10)11/h1H
InChIKeyOCIBZMYWIQYTNF-UHFFFAOYSA-N
MW266.44 g/mol
LogP2.72
Rot. Bonds

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

2-(trichloromethyl)-4-(trifluoromethyl)-1,3,5-triazine (PubChem CID 19888786) has the molecular formula C5HCl3F3N3 and a molecular weight of 266.44 g/mol. Its IUPAC name is 2-(trichloromethyl)-4-(trifluoromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(trichloromethyl)-4-(trifluoromethyl)-1,3,5-triazine
PubChem CID19888786
Molecular FormulaC5HCl3F3N3
Molecular Weight266.44 g/mol
Exact Mass264.92
IUPAC Name2-(trichloromethyl)-4-(trifluoromethyl)-1,3,5-triazine
SMILESFC(F)(F)c1ncnc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C5HCl3F3N3/c6-4(7,8)2-12-1-13-3(14-2)5(9,10)11/h1H
InChIKeyOCIBZMYWIQYTNF-UHFFFAOYSA-N
XLogP2.72
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.44
LogP ≤ 52.72
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-(trichloromethyl)-4-(trifluoromethyl)-1,3,5-triazine?
The IUPAC name of 2-(trichloromethyl)-4-(trifluoromethyl)-1,3,5-triazine (CID 19888786) is 2-(trichloromethyl)-4-(trifluoromethyl)-1,3,5-triazine.
What is the SMILES notation for 2-(trichloromethyl)-4-(trifluoromethyl)-1,3,5-triazine?
The canonical SMILES for 2-(trichloromethyl)-4-(trifluoromethyl)-1,3,5-triazine is FC(F)(F)c1ncnc(C(Cl)(Cl)Cl)n1.
What is the InChIKey of 2-(trichloromethyl)-4-(trifluoromethyl)-1,3,5-triazine?
The InChIKey is OCIBZMYWIQYTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HCl3F3N3/c6-4(7,8)2-12-1-13-3(14-2)5(9,10)11/h1H.
What are the key properties of 2-(trichloromethyl)-4-(trifluoromethyl)-1,3,5-triazine?
2-(trichloromethyl)-4-(trifluoromethyl)-1,3,5-triazine has a molecular weight of 266.44 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trichloromethyl)-4-(trifluoromethyl)-1,3,5-triazine is sourced from PubChem (CID 19888786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).