2,4,6-trifluoro-5-phenylpyrimidine

C10H5F3N2 — CID 22725174

IUPAC2,4,6-trifluoro-5-phenylpyrimidine
SMILESFc1nc(F)c(-c2ccccc2)c(F)n1
InChIInChI=1S/C10H5F3N2/c11-8-7(6-4-2-1-3-5-6)9(12)15-10(13)14-8/h1-5H
InChIKeyWFANKYAOKVXOAJ-UHFFFAOYSA-N
MW210.16 g/mol
LogP2.56
Rot. Bonds1

About 2,4,6-trifluoro-5-phenylpyrimidine

2,4,6-trifluoro-5-phenylpyrimidine (PubChem CID 22725174) has the molecular formula C10H5F3N2 and a molecular weight of 210.16 g/mol. Its IUPAC name is 2,4,6-trifluoro-5-phenylpyrimidine.

Molecular Properties

Compound Name2,4,6-trifluoro-5-phenylpyrimidine
PubChem CID22725174
Molecular FormulaC10H5F3N2
Molecular Weight210.16 g/mol
Exact Mass210.04
IUPAC Name2,4,6-trifluoro-5-phenylpyrimidine
SMILESFc1nc(F)c(-c2ccccc2)c(F)n1
InChIInChI=1S/C10H5F3N2/c11-8-7(6-4-2-1-3-5-6)9(12)15-10(13)14-8/h1-5H
InChIKeyWFANKYAOKVXOAJ-UHFFFAOYSA-N
XLogP2.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.16
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,4,6-trifluoro-5-phenylpyrimidine 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-trifluoro-5-phenylpyrimidine?
The IUPAC name of 2,4,6-trifluoro-5-phenylpyrimidine (CID 22725174) is 2,4,6-trifluoro-5-phenylpyrimidine.
What is the SMILES notation for 2,4,6-trifluoro-5-phenylpyrimidine?
The canonical SMILES for 2,4,6-trifluoro-5-phenylpyrimidine is Fc1nc(F)c(-c2ccccc2)c(F)n1.
What is the InChIKey of 2,4,6-trifluoro-5-phenylpyrimidine?
The InChIKey is WFANKYAOKVXOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N2/c11-8-7(6-4-2-1-3-5-6)9(12)15-10(13)14-8/h1-5H.
What are the key properties of 2,4,6-trifluoro-5-phenylpyrimidine?
2,4,6-trifluoro-5-phenylpyrimidine has a molecular weight of 210.16 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-5-phenylpyrimidine is sourced from PubChem (CID 22725174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).