4-ethyl-6-(2,2,2-trifluoroethoxy)pyrimidine

C8H9F3N2O — CID 57013685

IUPAC4-ethyl-6-(2,2,2-trifluoroethoxy)pyrimidine
SMILESCCc1cc(OCC(F)(F)F)ncn1
InChIInChI=1S/C8H9F3N2O/c1-2-6-3-7(13-5-12-6)14-4-8(9,10)11/h3,5H,2,4H2,1H3
InChIKeyOQSVQDXBGNCHLK-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.98
Rot. Bonds3

About 4-ethyl-6-(2,2,2-trifluoroethoxy)pyrimidine

4-ethyl-6-(2,2,2-trifluoroethoxy)pyrimidine (PubChem CID 57013685) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 4-ethyl-6-(2,2,2-trifluoroethoxy)pyrimidine.

Molecular Properties

Compound Name4-ethyl-6-(2,2,2-trifluoroethoxy)pyrimidine
PubChem CID57013685
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name4-ethyl-6-(2,2,2-trifluoroethoxy)pyrimidine
SMILESCCc1cc(OCC(F)(F)F)ncn1
InChIInChI=1S/C8H9F3N2O/c1-2-6-3-7(13-5-12-6)14-4-8(9,10)11/h3,5H,2,4H2,1H3
InChIKeyOQSVQDXBGNCHLK-UHFFFAOYSA-N
XLogP1.98
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-(2,2,2-trifluoroethoxy)pyrimidine?
The IUPAC name of 4-ethyl-6-(2,2,2-trifluoroethoxy)pyrimidine (CID 57013685) is 4-ethyl-6-(2,2,2-trifluoroethoxy)pyrimidine.
What is the SMILES notation for 4-ethyl-6-(2,2,2-trifluoroethoxy)pyrimidine?
The canonical SMILES for 4-ethyl-6-(2,2,2-trifluoroethoxy)pyrimidine is CCc1cc(OCC(F)(F)F)ncn1.
What is the InChIKey of 4-ethyl-6-(2,2,2-trifluoroethoxy)pyrimidine?
The InChIKey is OQSVQDXBGNCHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-2-6-3-7(13-5-12-6)14-4-8(9,10)11/h3,5H,2,4H2,1H3.
What are the key properties of 4-ethyl-6-(2,2,2-trifluoroethoxy)pyrimidine?
4-ethyl-6-(2,2,2-trifluoroethoxy)pyrimidine has a molecular weight of 206.17 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(2,2,2-trifluoroethoxy)pyrimidine is sourced from PubChem (CID 57013685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).