ethyl 2-[6-(trifluoromethyl)pyrimidin-4-yl]oxyacetate

C9H9F3N2O3 — CID 156739083

IUPACethyl 2-[6-(trifluoromethyl)pyrimidin-4-yl]oxyacetate
SMILESCCOC(=O)COc1cc(C(F)(F)F)ncn1
InChIInChI=1S/C9H9F3N2O3/c1-2-16-8(15)4-17-7-3-6(9(10,11)12)13-5-14-7/h3,5H,2,4H2,1H3
InChIKeyUHFWZRQDSBZJJK-UHFFFAOYSA-N
MW250.18 g/mol
LogP1.44
Rot. Bonds4

About ethyl 2-[6-(trifluoromethyl)pyrimidin-4-yl]oxyacetate

ethyl 2-[6-(trifluoromethyl)pyrimidin-4-yl]oxyacetate (PubChem CID 156739083) has the molecular formula C9H9F3N2O3 and a molecular weight of 250.18 g/mol. Its IUPAC name is ethyl 2-[6-(trifluoromethyl)pyrimidin-4-yl]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[6-(trifluoromethyl)pyrimidin-4-yl]oxyacetate
PubChem CID156739083
Molecular FormulaC9H9F3N2O3
Molecular Weight250.18 g/mol
Exact Mass250.06
IUPAC Nameethyl 2-[6-(trifluoromethyl)pyrimidin-4-yl]oxyacetate
SMILESCCOC(=O)COc1cc(C(F)(F)F)ncn1
InChIInChI=1S/C9H9F3N2O3/c1-2-16-8(15)4-17-7-3-6(9(10,11)12)13-5-14-7/h3,5H,2,4H2,1H3
InChIKeyUHFWZRQDSBZJJK-UHFFFAOYSA-N
XLogP1.44
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Acetic acid, [[6-methyl-2-(methylthio)-4-pyrimidinyl]oxy]-, methyl ester
CID 704438
Ethyl 2-[5-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxypropanoate
CID 18700281
4-(Difluoromethoxy)-6-methylpyrimidine
CID 18769387
4-Methoxy-6-(trifluoromethyl)pyrimidine
CID 18953277
4-Ethoxy-6-(trifluoromethyl)pyrimidin-2-amine
CID 19966718
2-Methylamino-4-(2,2,2-trifluorethoxy)-6-methylpyrimidine
CID 20189867
Methyl 2-(5-fluoro-6-methylpyrimidin-4-yl)oxyacetate
CID 20602959
Methyl 2-(5-fluoro-6-methylpyrimidin-4-yl)oxypropanoate
CID 20602960
4-Methyl-6-(2,2,2-trifluoroethoxy)pyrimidine
CID 21349937
2-Methyl-2-((6-(trifluoromethyl)pyrimidin-4-yl)oxy)propanoic acid
CID 22270642
4-[6-(Trifluoromethyl)pyrimidin-4-yl]oxybutanal
CID 59527210
4-[6-(Trifluoromethyl)pyrimidin-4-yl]oxybutan-1-ol
CID 59527371

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-(trifluoromethyl)pyrimidin-4-yl]oxyacetate?
The IUPAC name of ethyl 2-[6-(trifluoromethyl)pyrimidin-4-yl]oxyacetate (CID 156739083) is ethyl 2-[6-(trifluoromethyl)pyrimidin-4-yl]oxyacetate.
What is the SMILES notation for ethyl 2-[6-(trifluoromethyl)pyrimidin-4-yl]oxyacetate?
The canonical SMILES for ethyl 2-[6-(trifluoromethyl)pyrimidin-4-yl]oxyacetate is CCOC(=O)COc1cc(C(F)(F)F)ncn1.
What is the InChIKey of ethyl 2-[6-(trifluoromethyl)pyrimidin-4-yl]oxyacetate?
The InChIKey is UHFWZRQDSBZJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O3/c1-2-16-8(15)4-17-7-3-6(9(10,11)12)13-5-14-7/h3,5H,2,4H2,1H3.
What are the key properties of ethyl 2-[6-(trifluoromethyl)pyrimidin-4-yl]oxyacetate?
ethyl 2-[6-(trifluoromethyl)pyrimidin-4-yl]oxyacetate has a molecular weight of 250.18 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-(trifluoromethyl)pyrimidin-4-yl]oxyacetate is sourced from PubChem (CID 156739083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).