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

C8H6F6N2O — CID 129150945

IUPAC4-methyl-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
SMILESCc1nc(OCC(F)(F)F)ncc1C(F)(F)F
InChIInChI=1S/C8H6F6N2O/c1-4-5(8(12,13)14)2-15-6(16-4)17-3-7(9,10)11/h2H,3H2,1H3
InChIKeyNHQDUFGGKXGXRN-UHFFFAOYSA-N
MW260.14 g/mol
LogP2.74
Rot. Bonds2

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

4-methyl-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine (PubChem CID 129150945) has the molecular formula C8H6F6N2O and a molecular weight of 260.14 g/mol. Its IUPAC name is 4-methyl-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-methyl-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
PubChem CID129150945
Molecular FormulaC8H6F6N2O
Molecular Weight260.14 g/mol
Exact Mass260.04
IUPAC Name4-methyl-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
SMILESCc1nc(OCC(F)(F)F)ncc1C(F)(F)F
InChIInChI=1S/C8H6F6N2O/c1-4-5(8(12,13)14)2-15-6(16-4)17-3-7(9,10)11/h2H,3H2,1H3
InChIKeyNHQDUFGGKXGXRN-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 4-methyl-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-methyl-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine (CID 129150945) is 4-methyl-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-methyl-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-methyl-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine is Cc1nc(OCC(F)(F)F)ncc1C(F)(F)F.
What is the InChIKey of 4-methyl-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine?
The InChIKey is NHQDUFGGKXGXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F6N2O/c1-4-5(8(12,13)14)2-15-6(16-4)17-3-7(9,10)11/h2H,3H2,1H3.
What are the key properties of 4-methyl-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine?
4-methyl-2-(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 4-methyl-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 129150945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).