2,4-dichloro-6-(trifluoromethoxy)pyrimidine

C5HCl2F3N2O — CID 15022714

IUPAC2,4-dichloro-6-(trifluoromethoxy)pyrimidine
SMILESFC(F)(F)Oc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C5HCl2F3N2O/c6-2-1-3(12-4(7)11-2)13-5(8,9)10/h1H
InChIKeyQAXVWUZCDWFCES-UHFFFAOYSA-N
MW232.98 g/mol
LogP2.68
Rot. Bonds1

About 2,4-dichloro-6-(trifluoromethoxy)pyrimidine

2,4-dichloro-6-(trifluoromethoxy)pyrimidine (PubChem CID 15022714) has the molecular formula C5HCl2F3N2O and a molecular weight of 232.98 g/mol. Its IUPAC name is 2,4-dichloro-6-(trifluoromethoxy)pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-6-(trifluoromethoxy)pyrimidine
PubChem CID15022714
Molecular FormulaC5HCl2F3N2O
Molecular Weight232.98 g/mol
Exact Mass231.94
IUPAC Name2,4-dichloro-6-(trifluoromethoxy)pyrimidine
SMILESFC(F)(F)Oc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C5HCl2F3N2O/c6-2-1-3(12-4(7)11-2)13-5(8,9)10/h1H
InChIKeyQAXVWUZCDWFCES-UHFFFAOYSA-N
XLogP2.68
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.98
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4-dichloro-6-(trifluoromethoxy)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-dichloro-6-(trifluoromethoxy)pyrimidine?
The IUPAC name of 2,4-dichloro-6-(trifluoromethoxy)pyrimidine (CID 15022714) is 2,4-dichloro-6-(trifluoromethoxy)pyrimidine.
What is the SMILES notation for 2,4-dichloro-6-(trifluoromethoxy)pyrimidine?
The canonical SMILES for 2,4-dichloro-6-(trifluoromethoxy)pyrimidine is FC(F)(F)Oc1cc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-(trifluoromethoxy)pyrimidine?
The InChIKey is QAXVWUZCDWFCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HCl2F3N2O/c6-2-1-3(12-4(7)11-2)13-5(8,9)10/h1H.
What are the key properties of 2,4-dichloro-6-(trifluoromethoxy)pyrimidine?
2,4-dichloro-6-(trifluoromethoxy)pyrimidine has a molecular weight of 232.98 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(trifluoromethoxy)pyrimidine is sourced from PubChem (CID 15022714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).