2-(3-methylbutoxy)-4-(2,2,2-trifluoroethoxy)pyrimidine

C11H15F3N2O2 — CID 58044519

IUPAC2-(3-methylbutoxy)-4-(2,2,2-trifluoroethoxy)pyrimidine
SMILESCC(C)CCOc1nccc(OCC(F)(F)F)n1
InChIInChI=1S/C11H15F3N2O2/c1-8(2)4-6-17-10-15-5-3-9(16-10)18-7-11(12,13)14/h3,5,8H,4,6-7H2,1-2H3
InChIKeyDLEDOQKPZMKWBC-UHFFFAOYSA-N
MW264.25 g/mol
LogP2.84
Rot. Bonds6

About 2-(3-methylbutoxy)-4-(2,2,2-trifluoroethoxy)pyrimidine

2-(3-methylbutoxy)-4-(2,2,2-trifluoroethoxy)pyrimidine (PubChem CID 58044519) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-(3-methylbutoxy)-4-(2,2,2-trifluoroethoxy)pyrimidine.

Molecular Properties

Compound Name2-(3-methylbutoxy)-4-(2,2,2-trifluoroethoxy)pyrimidine
PubChem CID58044519
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Name2-(3-methylbutoxy)-4-(2,2,2-trifluoroethoxy)pyrimidine
SMILESCC(C)CCOc1nccc(OCC(F)(F)F)n1
InChIInChI=1S/C11H15F3N2O2/c1-8(2)4-6-17-10-15-5-3-9(16-10)18-7-11(12,13)14/h3,5,8H,4,6-7H2,1-2H3
InChIKeyDLEDOQKPZMKWBC-UHFFFAOYSA-N
XLogP2.84
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutoxy)-4-(2,2,2-trifluoroethoxy)pyrimidine?
The IUPAC name of 2-(3-methylbutoxy)-4-(2,2,2-trifluoroethoxy)pyrimidine (CID 58044519) is 2-(3-methylbutoxy)-4-(2,2,2-trifluoroethoxy)pyrimidine.
What is the SMILES notation for 2-(3-methylbutoxy)-4-(2,2,2-trifluoroethoxy)pyrimidine?
The canonical SMILES for 2-(3-methylbutoxy)-4-(2,2,2-trifluoroethoxy)pyrimidine is CC(C)CCOc1nccc(OCC(F)(F)F)n1.
What is the InChIKey of 2-(3-methylbutoxy)-4-(2,2,2-trifluoroethoxy)pyrimidine?
The InChIKey is DLEDOQKPZMKWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c1-8(2)4-6-17-10-15-5-3-9(16-10)18-7-11(12,13)14/h3,5,8H,4,6-7H2,1-2H3.
What are the key properties of 2-(3-methylbutoxy)-4-(2,2,2-trifluoroethoxy)pyrimidine?
2-(3-methylbutoxy)-4-(2,2,2-trifluoroethoxy)pyrimidine has a molecular weight of 264.25 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxy)-4-(2,2,2-trifluoroethoxy)pyrimidine is sourced from PubChem (CID 58044519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).