2,4,6-trichloro-5-(2,2,2-trifluoroethyl)pyrimidine

C6H2Cl3F3N2 — CID 58203449

IUPAC2,4,6-trichloro-5-(2,2,2-trifluoroethyl)pyrimidine
SMILESFC(F)(F)Cc1c(Cl)nc(Cl)nc1Cl
InChIInChI=1S/C6H2Cl3F3N2/c7-3-2(1-6(10,11)12)4(8)14-5(9)13-3/h1H2
InChIKeyBSZLRWRJPCFLQD-UHFFFAOYSA-N
MW265.45 g/mol
LogP3.54
Rot. Bonds1

About 2,4,6-trichloro-5-(2,2,2-trifluoroethyl)pyrimidine

2,4,6-trichloro-5-(2,2,2-trifluoroethyl)pyrimidine (PubChem CID 58203449) has the molecular formula C6H2Cl3F3N2 and a molecular weight of 265.45 g/mol. Its IUPAC name is 2,4,6-trichloro-5-(2,2,2-trifluoroethyl)pyrimidine.

Molecular Properties

Compound Name2,4,6-trichloro-5-(2,2,2-trifluoroethyl)pyrimidine
PubChem CID58203449
Molecular FormulaC6H2Cl3F3N2
Molecular Weight265.45 g/mol
Exact Mass263.92
IUPAC Name2,4,6-trichloro-5-(2,2,2-trifluoroethyl)pyrimidine
SMILESFC(F)(F)Cc1c(Cl)nc(Cl)nc1Cl
InChIInChI=1S/C6H2Cl3F3N2/c7-3-2(1-6(10,11)12)4(8)14-5(9)13-3/h1H2
InChIKeyBSZLRWRJPCFLQD-UHFFFAOYSA-N
XLogP3.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.45
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,4,6-trichloro-5-(2,2,2-trifluoroethyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-5-(2,2,2-trifluoroethyl)pyrimidine?
The IUPAC name of 2,4,6-trichloro-5-(2,2,2-trifluoroethyl)pyrimidine (CID 58203449) is 2,4,6-trichloro-5-(2,2,2-trifluoroethyl)pyrimidine.
What is the SMILES notation for 2,4,6-trichloro-5-(2,2,2-trifluoroethyl)pyrimidine?
The canonical SMILES for 2,4,6-trichloro-5-(2,2,2-trifluoroethyl)pyrimidine is FC(F)(F)Cc1c(Cl)nc(Cl)nc1Cl.
What is the InChIKey of 2,4,6-trichloro-5-(2,2,2-trifluoroethyl)pyrimidine?
The InChIKey is BSZLRWRJPCFLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl3F3N2/c7-3-2(1-6(10,11)12)4(8)14-5(9)13-3/h1H2.
What are the key properties of 2,4,6-trichloro-5-(2,2,2-trifluoroethyl)pyrimidine?
2,4,6-trichloro-5-(2,2,2-trifluoroethyl)pyrimidine has a molecular weight of 265.45 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-5-(2,2,2-trifluoroethyl)pyrimidine is sourced from PubChem (CID 58203449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).