4-bromo-2-(2,2,2-trifluoroethoxy)pyrimidine

C6H4BrF3N2O — CID 15788060

IUPAC4-bromo-2-(2,2,2-trifluoroethoxy)pyrimidine
SMILESFC(F)(F)COc1nccc(Br)n1
InChIInChI=1S/C6H4BrF3N2O/c7-4-1-2-11-5(12-4)13-3-6(8,9)10/h1-2H,3H2
InChIKeyIBKBISGLHFRIQO-UHFFFAOYSA-N
MW257.01 g/mol
LogP2.18
Rot. Bonds2

About 4-bromo-2-(2,2,2-trifluoroethoxy)pyrimidine

4-bromo-2-(2,2,2-trifluoroethoxy)pyrimidine (PubChem CID 15788060) has the molecular formula C6H4BrF3N2O and a molecular weight of 257.01 g/mol. Its IUPAC name is 4-bromo-2-(2,2,2-trifluoroethoxy)pyrimidine.

Molecular Properties

Compound Name4-bromo-2-(2,2,2-trifluoroethoxy)pyrimidine
PubChem CID15788060
Molecular FormulaC6H4BrF3N2O
Molecular Weight257.01 g/mol
Exact Mass255.95
IUPAC Name4-bromo-2-(2,2,2-trifluoroethoxy)pyrimidine
SMILESFC(F)(F)COc1nccc(Br)n1
InChIInChI=1S/C6H4BrF3N2O/c7-4-1-2-11-5(12-4)13-3-6(8,9)10/h1-2H,3H2
InChIKeyIBKBISGLHFRIQO-UHFFFAOYSA-N
XLogP2.18
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.01
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2,2,2-trifluoroethoxy)pyrimidine?
The IUPAC name of 4-bromo-2-(2,2,2-trifluoroethoxy)pyrimidine (CID 15788060) is 4-bromo-2-(2,2,2-trifluoroethoxy)pyrimidine.
What is the SMILES notation for 4-bromo-2-(2,2,2-trifluoroethoxy)pyrimidine?
The canonical SMILES for 4-bromo-2-(2,2,2-trifluoroethoxy)pyrimidine is FC(F)(F)COc1nccc(Br)n1.
What is the InChIKey of 4-bromo-2-(2,2,2-trifluoroethoxy)pyrimidine?
The InChIKey is IBKBISGLHFRIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF3N2O/c7-4-1-2-11-5(12-4)13-3-6(8,9)10/h1-2H,3H2.
What are the key properties of 4-bromo-2-(2,2,2-trifluoroethoxy)pyrimidine?
4-bromo-2-(2,2,2-trifluoroethoxy)pyrimidine has a molecular weight of 257.01 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2,2,2-trifluoroethoxy)pyrimidine is sourced from PubChem (CID 15788060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).