4-tert-butyl-6-chloro-2-(2,2,2-trifluoroethoxymethyl)pyrimidine

C11H14ClF3N2O — CID 103473525

IUPAC4-tert-butyl-6-chloro-2-(2,2,2-trifluoroethoxymethyl)pyrimidine
SMILESCC(C)(C)c1cc(Cl)nc(COCC(F)(F)F)n1
InChIInChI=1S/C11H14ClF3N2O/c1-10(2,3)7-4-8(12)17-9(16-7)5-18-6-11(13,14)15/h4H,5-6H2,1-3H3
InChIKeyIZUVUCIXXSOJEA-UHFFFAOYSA-N
MW282.69 g/mol
LogP3.51
Rot. Bonds3

About 4-tert-butyl-6-chloro-2-(2,2,2-trifluoroethoxymethyl)pyrimidine

4-tert-butyl-6-chloro-2-(2,2,2-trifluoroethoxymethyl)pyrimidine (PubChem CID 103473525) has the molecular formula C11H14ClF3N2O and a molecular weight of 282.69 g/mol. Its IUPAC name is 4-tert-butyl-6-chloro-2-(2,2,2-trifluoroethoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-tert-butyl-6-chloro-2-(2,2,2-trifluoroethoxymethyl)pyrimidine
PubChem CID103473525
Molecular FormulaC11H14ClF3N2O
Molecular Weight282.69 g/mol
Exact Mass282.07
IUPAC Name4-tert-butyl-6-chloro-2-(2,2,2-trifluoroethoxymethyl)pyrimidine
SMILESCC(C)(C)c1cc(Cl)nc(COCC(F)(F)F)n1
InChIInChI=1S/C11H14ClF3N2O/c1-10(2,3)7-4-8(12)17-9(16-7)5-18-6-11(13,14)15/h4H,5-6H2,1-3H3
InChIKeyIZUVUCIXXSOJEA-UHFFFAOYSA-N
XLogP3.51
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-chloro-2-(2,2,2-trifluoroethoxymethyl)pyrimidine?
The IUPAC name of 4-tert-butyl-6-chloro-2-(2,2,2-trifluoroethoxymethyl)pyrimidine (CID 103473525) is 4-tert-butyl-6-chloro-2-(2,2,2-trifluoroethoxymethyl)pyrimidine.
What is the SMILES notation for 4-tert-butyl-6-chloro-2-(2,2,2-trifluoroethoxymethyl)pyrimidine?
The canonical SMILES for 4-tert-butyl-6-chloro-2-(2,2,2-trifluoroethoxymethyl)pyrimidine is CC(C)(C)c1cc(Cl)nc(COCC(F)(F)F)n1.
What is the InChIKey of 4-tert-butyl-6-chloro-2-(2,2,2-trifluoroethoxymethyl)pyrimidine?
The InChIKey is IZUVUCIXXSOJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N2O/c1-10(2,3)7-4-8(12)17-9(16-7)5-18-6-11(13,14)15/h4H,5-6H2,1-3H3.
What are the key properties of 4-tert-butyl-6-chloro-2-(2,2,2-trifluoroethoxymethyl)pyrimidine?
4-tert-butyl-6-chloro-2-(2,2,2-trifluoroethoxymethyl)pyrimidine has a molecular weight of 282.69 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-chloro-2-(2,2,2-trifluoroethoxymethyl)pyrimidine is sourced from PubChem (CID 103473525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).