4,6-dichloro-2-[3-(trifluoromethyl)phenyl]pyrimidine

C11H5Cl2F3N2 — CID 53440046

IUPAC4,6-dichloro-2-[3-(trifluoromethyl)phenyl]pyrimidine
SMILESFC(F)(F)c1cccc(-c2nc(Cl)cc(Cl)n2)c1
InChIInChI=1S/C11H5Cl2F3N2/c12-8-5-9(13)18-10(17-8)6-2-1-3-7(4-6)11(14,15)16/h1-5H
InChIKeyVTHOZCSKDRAOGU-UHFFFAOYSA-N
MW293.08 g/mol
LogP4.47
Rot. Bonds1

About 4,6-dichloro-2-[3-(trifluoromethyl)phenyl]pyrimidine

4,6-dichloro-2-[3-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 53440046) has the molecular formula C11H5Cl2F3N2 and a molecular weight of 293.08 g/mol. Its IUPAC name is 4,6-dichloro-2-[3-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-[3-(trifluoromethyl)phenyl]pyrimidine
PubChem CID53440046
Molecular FormulaC11H5Cl2F3N2
Molecular Weight293.08 g/mol
Exact Mass291.98
IUPAC Name4,6-dichloro-2-[3-(trifluoromethyl)phenyl]pyrimidine
SMILESFC(F)(F)c1cccc(-c2nc(Cl)cc(Cl)n2)c1
InChIInChI=1S/C11H5Cl2F3N2/c12-8-5-9(13)18-10(17-8)6-2-1-3-7(4-6)11(14,15)16/h1-5H
InChIKeyVTHOZCSKDRAOGU-UHFFFAOYSA-N
XLogP4.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.08
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,6-dichloro-2-[3-(trifluoromethyl)phenyl]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 4,6-dichloro-2-[3-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 4,6-dichloro-2-[3-(trifluoromethyl)phenyl]pyrimidine (CID 53440046) is 4,6-dichloro-2-[3-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-[3-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 4,6-dichloro-2-[3-(trifluoromethyl)phenyl]pyrimidine is FC(F)(F)c1cccc(-c2nc(Cl)cc(Cl)n2)c1.
What is the InChIKey of 4,6-dichloro-2-[3-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is VTHOZCSKDRAOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2F3N2/c12-8-5-9(13)18-10(17-8)6-2-1-3-7(4-6)11(14,15)16/h1-5H.
What are the key properties of 4,6-dichloro-2-[3-(trifluoromethyl)phenyl]pyrimidine?
4,6-dichloro-2-[3-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 293.08 g/mol, XLogP of 4.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-[3-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 53440046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).