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

C10H10ClF3N2O2 — CID 19876782

IUPACethyl 2-[4-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]acetate
SMILESCCOC(=O)Cc1c(Cl)nc(C)nc1C(F)(F)F
InChIInChI=1S/C10H10ClF3N2O2/c1-3-18-7(17)4-6-8(10(12,13)14)15-5(2)16-9(6)11/h3-4H2,1-2H3
InChIKeyFQTRGKHIVHUKAS-UHFFFAOYSA-N
MW282.65 g/mol
LogP2.56
Rot. Bonds3

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

ethyl 2-[4-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]acetate (PubChem CID 19876782) has the molecular formula C10H10ClF3N2O2 and a molecular weight of 282.65 g/mol. Its IUPAC name is ethyl 2-[4-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]acetate
PubChem CID19876782
Molecular FormulaC10H10ClF3N2O2
Molecular Weight282.65 g/mol
Exact Mass282.04
IUPAC Nameethyl 2-[4-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]acetate
SMILESCCOC(=O)Cc1c(Cl)nc(C)nc1C(F)(F)F
InChIInChI=1S/C10H10ClF3N2O2/c1-3-18-7(17)4-6-8(10(12,13)14)15-5(2)16-9(6)11/h3-4H2,1-2H3
InChIKeyFQTRGKHIVHUKAS-UHFFFAOYSA-N
XLogP2.56
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.65
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]acetate?
The IUPAC name of ethyl 2-[4-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]acetate (CID 19876782) is ethyl 2-[4-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]acetate.
What is the SMILES notation for ethyl 2-[4-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]acetate?
The canonical SMILES for ethyl 2-[4-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]acetate is CCOC(=O)Cc1c(Cl)nc(C)nc1C(F)(F)F.
What is the InChIKey of ethyl 2-[4-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]acetate?
The InChIKey is FQTRGKHIVHUKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O2/c1-3-18-7(17)4-6-8(10(12,13)14)15-5(2)16-9(6)11/h3-4H2,1-2H3.
What are the key properties of ethyl 2-[4-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]acetate?
ethyl 2-[4-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]acetate has a molecular weight of 282.65 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]acetate is sourced from PubChem (CID 19876782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).