4-chloro-6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine

C8H8ClF3N2O — CID 80664143

IUPAC4-chloro-6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine
SMILESCc1cc(Cl)nc(COCC(F)(F)F)n1
InChIInChI=1S/C8H8ClF3N2O/c1-5-2-6(9)14-7(13-5)3-15-4-8(10,11)12/h2H,3-4H2,1H3
InChIKeyPLUZFCHXYBOEHL-UHFFFAOYSA-N
MW240.61 g/mol
LogP2.52
Rot. Bonds3

About 4-chloro-6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine

4-chloro-6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine (PubChem CID 80664143) has the molecular formula C8H8ClF3N2O and a molecular weight of 240.61 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine
PubChem CID80664143
Molecular FormulaC8H8ClF3N2O
Molecular Weight240.61 g/mol
Exact Mass240.03
IUPAC Name4-chloro-6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine
SMILESCc1cc(Cl)nc(COCC(F)(F)F)n1
InChIInChI=1S/C8H8ClF3N2O/c1-5-2-6(9)14-7(13-5)3-15-4-8(10,11)12/h2H,3-4H2,1H3
InChIKeyPLUZFCHXYBOEHL-UHFFFAOYSA-N
XLogP2.52
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.61
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine?
The IUPAC name of 4-chloro-6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine (CID 80664143) is 4-chloro-6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine is Cc1cc(Cl)nc(COCC(F)(F)F)n1.
What is the InChIKey of 4-chloro-6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine?
The InChIKey is PLUZFCHXYBOEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2O/c1-5-2-6(9)14-7(13-5)3-15-4-8(10,11)12/h2H,3-4H2,1H3.
What are the key properties of 4-chloro-6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine?
4-chloro-6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine has a molecular weight of 240.61 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine is sourced from PubChem (CID 80664143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).