4,6-dibromo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine

C8H7Br2F3N2O — CID 103146754

IUPAC4,6-dibromo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine
SMILESFC(F)(F)COCCc1nc(Br)cc(Br)n1
InChIInChI=1S/C8H7Br2F3N2O/c9-5-3-6(10)15-7(14-5)1-2-16-4-8(11,12)13/h3H,1-2,4H2
InChIKeyXJBJDSMJJIJCAZ-UHFFFAOYSA-N
MW363.96 g/mol
LogP3.12
Rot. Bonds4

About 4,6-dibromo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine

4,6-dibromo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine (PubChem CID 103146754) has the molecular formula C8H7Br2F3N2O and a molecular weight of 363.96 g/mol. Its IUPAC name is 4,6-dibromo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine.

Molecular Properties

Compound Name4,6-dibromo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine
PubChem CID103146754
Molecular FormulaC8H7Br2F3N2O
Molecular Weight363.96 g/mol
Exact Mass361.89
IUPAC Name4,6-dibromo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine
SMILESFC(F)(F)COCCc1nc(Br)cc(Br)n1
InChIInChI=1S/C8H7Br2F3N2O/c9-5-3-6(10)15-7(14-5)1-2-16-4-8(11,12)13/h3H,1-2,4H2
InChIKeyXJBJDSMJJIJCAZ-UHFFFAOYSA-N
XLogP3.12
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.96
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dibromo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine?
The IUPAC name of 4,6-dibromo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine (CID 103146754) is 4,6-dibromo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine.
What is the SMILES notation for 4,6-dibromo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine?
The canonical SMILES for 4,6-dibromo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine is FC(F)(F)COCCc1nc(Br)cc(Br)n1.
What is the InChIKey of 4,6-dibromo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine?
The InChIKey is XJBJDSMJJIJCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2F3N2O/c9-5-3-6(10)15-7(14-5)1-2-16-4-8(11,12)13/h3H,1-2,4H2.
What are the key properties of 4,6-dibromo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine?
4,6-dibromo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine has a molecular weight of 363.96 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibromo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine is sourced from PubChem (CID 103146754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).