methyl 2-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-2-methylpropanoate

C10H10ClF3N2O2 — CID 155771819

IUPACmethyl 2-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C10H10ClF3N2O2/c1-9(2,7(17)18-3)5-4-6(10(12,13)14)16-8(11)15-5/h4H,1-3H3
InChIKeyINTZOOAYXWKJFF-UHFFFAOYSA-N
MW282.65 g/mol
LogP2.60
Rot. Bonds2

About methyl 2-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-2-methylpropanoate

methyl 2-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-2-methylpropanoate (PubChem CID 155771819) has the molecular formula C10H10ClF3N2O2 and a molecular weight of 282.65 g/mol. Its IUPAC name is methyl 2-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-2-methylpropanoate
PubChem CID155771819
Molecular FormulaC10H10ClF3N2O2
Molecular Weight282.65 g/mol
Exact Mass282.04
IUPAC Namemethyl 2-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C10H10ClF3N2O2/c1-9(2,7(17)18-3)5-4-6(10(12,13)14)16-8(11)15-5/h4H,1-3H3
InChIKeyINTZOOAYXWKJFF-UHFFFAOYSA-N
XLogP2.60
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.65
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-2-methylpropanoate?
The IUPAC name of methyl 2-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-2-methylpropanoate (CID 155771819) is methyl 2-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-2-methylpropanoate?
The canonical SMILES for methyl 2-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-2-methylpropanoate is COC(=O)C(C)(C)c1cc(C(F)(F)F)nc(Cl)n1.
What is the InChIKey of methyl 2-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-2-methylpropanoate?
The InChIKey is INTZOOAYXWKJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O2/c1-9(2,7(17)18-3)5-4-6(10(12,13)14)16-8(11)15-5/h4H,1-3H3.
What are the key properties of methyl 2-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-2-methylpropanoate?
methyl 2-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-2-methylpropanoate has a molecular weight of 282.65 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-2-methylpropanoate is sourced from PubChem (CID 155771819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).