2-ethoxy-4-(trifluoromethyl)pyrimidine

C7H7F3N2O — CID 58742030

IUPAC2-ethoxy-4-(trifluoromethyl)pyrimidine
SMILESCCOc1nccc(C(F)(F)F)n1
InChIInChI=1S/C7H7F3N2O/c1-2-13-6-11-4-3-5(12-6)7(8,9)10/h3-4H,2H2,1H3
InChIKeyPYIZJYIYNWJTBO-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.89
Rot. Bonds2

About 2-ethoxy-4-(trifluoromethyl)pyrimidine

2-ethoxy-4-(trifluoromethyl)pyrimidine (PubChem CID 58742030) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 2-ethoxy-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-ethoxy-4-(trifluoromethyl)pyrimidine
PubChem CID58742030
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name2-ethoxy-4-(trifluoromethyl)pyrimidine
SMILESCCOc1nccc(C(F)(F)F)n1
InChIInChI=1S/C7H7F3N2O/c1-2-13-6-11-4-3-5(12-6)7(8,9)10/h3-4H,2H2,1H3
InChIKeyPYIZJYIYNWJTBO-UHFFFAOYSA-N
XLogP1.89
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-ethoxy-4-(trifluoromethyl)pyrimidine (CID 58742030) is 2-ethoxy-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-ethoxy-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-ethoxy-4-(trifluoromethyl)pyrimidine is CCOc1nccc(C(F)(F)F)n1.
What is the InChIKey of 2-ethoxy-4-(trifluoromethyl)pyrimidine?
The InChIKey is PYIZJYIYNWJTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c1-2-13-6-11-4-3-5(12-6)7(8,9)10/h3-4H,2H2,1H3.
What are the key properties of 2-ethoxy-4-(trifluoromethyl)pyrimidine?
2-ethoxy-4-(trifluoromethyl)pyrimidine has a molecular weight of 192.14 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 58742030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).