2,5-dichloro-4-(2,2,2-trifluoroethoxy)pyrimidine

C6H3Cl2F3N2O — CID 79633468

IUPAC2,5-dichloro-4-(2,2,2-trifluoroethoxy)pyrimidine
SMILESFC(F)(F)COc1nc(Cl)ncc1Cl
InChIInChI=1S/C6H3Cl2F3N2O/c7-3-1-12-5(8)13-4(3)14-2-6(9,10)11/h1H,2H2
InChIKeyUUERPXKNIGELNY-UHFFFAOYSA-N
MW247.00 g/mol
LogP2.72
Rot. Bonds2

About 2,5-dichloro-4-(2,2,2-trifluoroethoxy)pyrimidine

2,5-dichloro-4-(2,2,2-trifluoroethoxy)pyrimidine (PubChem CID 79633468) has the molecular formula C6H3Cl2F3N2O and a molecular weight of 247.00 g/mol. Its IUPAC name is 2,5-dichloro-4-(2,2,2-trifluoroethoxy)pyrimidine.

Molecular Properties

Compound Name2,5-dichloro-4-(2,2,2-trifluoroethoxy)pyrimidine
PubChem CID79633468
Molecular FormulaC6H3Cl2F3N2O
Molecular Weight247.00 g/mol
Exact Mass245.96
IUPAC Name2,5-dichloro-4-(2,2,2-trifluoroethoxy)pyrimidine
SMILESFC(F)(F)COc1nc(Cl)ncc1Cl
InChIInChI=1S/C6H3Cl2F3N2O/c7-3-1-12-5(8)13-4(3)14-2-6(9,10)11/h1H,2H2
InChIKeyUUERPXKNIGELNY-UHFFFAOYSA-N
XLogP2.72
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.00
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(2,2,2-trifluoroethoxy)pyrimidine?
The IUPAC name of 2,5-dichloro-4-(2,2,2-trifluoroethoxy)pyrimidine (CID 79633468) is 2,5-dichloro-4-(2,2,2-trifluoroethoxy)pyrimidine.
What is the SMILES notation for 2,5-dichloro-4-(2,2,2-trifluoroethoxy)pyrimidine?
The canonical SMILES for 2,5-dichloro-4-(2,2,2-trifluoroethoxy)pyrimidine is FC(F)(F)COc1nc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-4-(2,2,2-trifluoroethoxy)pyrimidine?
The InChIKey is UUERPXKNIGELNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2F3N2O/c7-3-1-12-5(8)13-4(3)14-2-6(9,10)11/h1H,2H2.
What are the key properties of 2,5-dichloro-4-(2,2,2-trifluoroethoxy)pyrimidine?
2,5-dichloro-4-(2,2,2-trifluoroethoxy)pyrimidine has a molecular weight of 247.00 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(2,2,2-trifluoroethoxy)pyrimidine is sourced from PubChem (CID 79633468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).