5-(2,2,2-trifluoroethoxy)pyrimidine

C6H5F3N2O — CID 76850142

IUPAC5-(2,2,2-trifluoroethoxy)pyrimidine
SMILESFC(F)(F)COc1cncnc1
InChIInChI=1S/C6H5F3N2O/c7-6(8,9)3-12-5-1-10-4-11-2-5/h1-2,4H,3H2
InChIKeyQXALSUFIJNBWOK-UHFFFAOYSA-N
MW178.11 g/mol
LogP1.42
Rot. Bonds2

About 5-(2,2,2-trifluoroethoxy)pyrimidine

5-(2,2,2-trifluoroethoxy)pyrimidine (PubChem CID 76850142) has the molecular formula C6H5F3N2O and a molecular weight of 178.11 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethoxy)pyrimidine.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethoxy)pyrimidine
PubChem CID76850142
Molecular FormulaC6H5F3N2O
Molecular Weight178.11 g/mol
Exact Mass178.04
IUPAC Name5-(2,2,2-trifluoroethoxy)pyrimidine
SMILESFC(F)(F)COc1cncnc1
InChIInChI=1S/C6H5F3N2O/c7-6(8,9)3-12-5-1-10-4-11-2-5/h1-2,4H,3H2
InChIKeyQXALSUFIJNBWOK-UHFFFAOYSA-N
XLogP1.42
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.11
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethoxy)pyrimidine?
The IUPAC name of 5-(2,2,2-trifluoroethoxy)pyrimidine (CID 76850142) is 5-(2,2,2-trifluoroethoxy)pyrimidine.
What is the SMILES notation for 5-(2,2,2-trifluoroethoxy)pyrimidine?
The canonical SMILES for 5-(2,2,2-trifluoroethoxy)pyrimidine is FC(F)(F)COc1cncnc1.
What is the InChIKey of 5-(2,2,2-trifluoroethoxy)pyrimidine?
The InChIKey is QXALSUFIJNBWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O/c7-6(8,9)3-12-5-1-10-4-11-2-5/h1-2,4H,3H2.
What are the key properties of 5-(2,2,2-trifluoroethoxy)pyrimidine?
5-(2,2,2-trifluoroethoxy)pyrimidine has a molecular weight of 178.11 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethoxy)pyrimidine is sourced from PubChem (CID 76850142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).