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

C8H8Br2F2N2O — CID 103146755

IUPAC4,6-dibromo-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine
SMILESFC(F)COCCc1nc(Br)cc(Br)n1
InChIInChI=1S/C8H8Br2F2N2O/c9-5-3-6(10)14-8(13-5)1-2-15-4-7(11)12/h3,7H,1-2,4H2
InChIKeyCZRDAKCCSLIWPX-UHFFFAOYSA-N
MW345.97 g/mol
LogP2.83
Rot. Bonds5

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

4,6-dibromo-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine (PubChem CID 103146755) has the molecular formula C8H8Br2F2N2O and a molecular weight of 345.97 g/mol. Its IUPAC name is 4,6-dibromo-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine.

Molecular Properties

Compound Name4,6-dibromo-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine
PubChem CID103146755
Molecular FormulaC8H8Br2F2N2O
Molecular Weight345.97 g/mol
Exact Mass343.90
IUPAC Name4,6-dibromo-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine
SMILESFC(F)COCCc1nc(Br)cc(Br)n1
InChIInChI=1S/C8H8Br2F2N2O/c9-5-3-6(10)14-8(13-5)1-2-15-4-7(11)12/h3,7H,1-2,4H2
InChIKeyCZRDAKCCSLIWPX-UHFFFAOYSA-N
XLogP2.83
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.97
LogP ≤ 52.83
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-difluoroethoxy)ethyl]pyrimidine?
The IUPAC name of 4,6-dibromo-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine (CID 103146755) is 4,6-dibromo-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine.
What is the SMILES notation for 4,6-dibromo-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine?
The canonical SMILES for 4,6-dibromo-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine is FC(F)COCCc1nc(Br)cc(Br)n1.
What is the InChIKey of 4,6-dibromo-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine?
The InChIKey is CZRDAKCCSLIWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2F2N2O/c9-5-3-6(10)14-8(13-5)1-2-15-4-7(11)12/h3,7H,1-2,4H2.
What are the key properties of 4,6-dibromo-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine?
4,6-dibromo-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine has a molecular weight of 345.97 g/mol, XLogP of 2.83, 5 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-difluoroethoxy)ethyl]pyrimidine is sourced from PubChem (CID 103146755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).