ethyl 2-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoate

C10H10ClF3N2O3 — CID 18700281

IUPACethyl 2-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoate
SMILESCCOC(=O)C(C)Oc1ncnc(C(F)(F)F)c1Cl
InChIInChI=1S/C10H10ClF3N2O3/c1-3-18-9(17)5(2)19-8-6(11)7(10(12,13)14)15-4-16-8/h4-5H,3H2,1-2H3
InChIKeyHEJWCAVRLALEAZ-UHFFFAOYSA-N
MW298.65 g/mol
LogP2.48
Rot. Bonds4

About ethyl 2-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoate

ethyl 2-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoate (PubChem CID 18700281) has the molecular formula C10H10ClF3N2O3 and a molecular weight of 298.65 g/mol. Its IUPAC name is ethyl 2-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoate.

Molecular Properties

Compound Nameethyl 2-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoate
PubChem CID18700281
Molecular FormulaC10H10ClF3N2O3
Molecular Weight298.65 g/mol
Exact Mass298.03
IUPAC Nameethyl 2-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoate
SMILESCCOC(=O)C(C)Oc1ncnc(C(F)(F)F)c1Cl
InChIInChI=1S/C10H10ClF3N2O3/c1-3-18-9(17)5(2)19-8-6(11)7(10(12,13)14)15-4-16-8/h4-5H,3H2,1-2H3
InChIKeyHEJWCAVRLALEAZ-UHFFFAOYSA-N
XLogP2.48
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.65
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl [(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)oxy]acetate
CID 911298
2-(5-Chloro-2-methyl-6-trifluoromethylpyrimidin-4-yloxy)propionic acid
CID 18700273
Methyl 2-[2-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoylamino]-2,3-dimethylbutanoate
CID 18700280
2-[5-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoic acid
CID 18700283
Methyl 2-(5-fluoro-6-methylpyrimidin-4-yl)oxyacetate
CID 20602959
Methyl 2-(5-fluoro-6-methylpyrimidin-4-yl)oxypropanoate
CID 20602960
Ethyl 2-[6-(trifluoromethyl)pyrimidin-4-yl]oxyacetate
CID 156739083
5-Chloro-2,4-diethoxy-6-(trifluoromethyl)pyrimidine
CID 13086913
Ethyl 2-((6-(trifluoromethyl)pyrimidin-4-yl)oxy)propanoate
CID 168032648
Methyl 2-{[6-(trifluoromethyl)pyrimidin-4-yl]oxy}acetate
CID 168032861
Methyl 2-[(5-chloro-4-methoxy-6-methyl-2-pyrimidinyl)oxy]propanoate
CID 12006821
Ethyl 2-(5-chloro-6-ethylpyrimidin-4-yloxy)acetate
CID 18700275

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoate?
The IUPAC name of ethyl 2-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoate (CID 18700281) is ethyl 2-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoate.
What is the SMILES notation for ethyl 2-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoate?
The canonical SMILES for ethyl 2-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoate is CCOC(=O)C(C)Oc1ncnc(C(F)(F)F)c1Cl.
What is the InChIKey of ethyl 2-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoate?
The InChIKey is HEJWCAVRLALEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O3/c1-3-18-9(17)5(2)19-8-6(11)7(10(12,13)14)15-4-16-8/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 2-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoate?
ethyl 2-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoate has a molecular weight of 298.65 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoate is sourced from PubChem (CID 18700281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).