2-methyl-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine

C8H6F6N2O — CID 162620662

IUPAC2-methyl-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
SMILESCc1ncc(C(F)(F)F)c(OCC(F)(F)F)n1
InChIInChI=1S/C8H6F6N2O/c1-4-15-2-5(8(12,13)14)6(16-4)17-3-7(9,10)11/h2H,3H2,1H3
InChIKeyDRRZUQGNCVXEEK-UHFFFAOYSA-N
MW260.14 g/mol
LogP2.74
Rot. Bonds2

About 2-methyl-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine

2-methyl-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine (PubChem CID 162620662) has the molecular formula C8H6F6N2O and a molecular weight of 260.14 g/mol. Its IUPAC name is 2-methyl-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
PubChem CID162620662
Molecular FormulaC8H6F6N2O
Molecular Weight260.14 g/mol
Exact Mass260.04
IUPAC Name2-methyl-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
SMILESCc1ncc(C(F)(F)F)c(OCC(F)(F)F)n1
InChIInChI=1S/C8H6F6N2O/c1-4-15-2-5(8(12,13)14)6(16-4)17-3-7(9,10)11/h2H,3H2,1H3
InChIKeyDRRZUQGNCVXEEK-UHFFFAOYSA-N
XLogP2.74
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.14
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-methyl-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine (CID 162620662) is 2-methyl-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-methyl-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-methyl-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine is Cc1ncc(C(F)(F)F)c(OCC(F)(F)F)n1.
What is the InChIKey of 2-methyl-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine?
The InChIKey is DRRZUQGNCVXEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F6N2O/c1-4-15-2-5(8(12,13)14)6(16-4)17-3-7(9,10)11/h2H,3H2,1H3.
What are the key properties of 2-methyl-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine?
2-methyl-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine has a molecular weight of 260.14 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 162620662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).