2-(trifluoromethoxy)pyrimidine

C5H3F3N2O — CID 23221705

IUPAC2-(trifluoromethoxy)pyrimidine
SMILESFC(F)(F)Oc1ncccn1
InChIInChI=1S/C5H3F3N2O/c6-5(7,8)11-4-9-2-1-3-10-4/h1-3H
InChIKeyFOZTVENDKSOBGF-UHFFFAOYSA-N
MW164.09 g/mol
LogP1.38
Rot. Bonds1

About 2-(trifluoromethoxy)pyrimidine

2-(trifluoromethoxy)pyrimidine (PubChem CID 23221705) has the molecular formula C5H3F3N2O and a molecular weight of 164.09 g/mol. Its IUPAC name is 2-(trifluoromethoxy)pyrimidine.

Molecular Properties

Compound Name2-(trifluoromethoxy)pyrimidine
PubChem CID23221705
Molecular FormulaC5H3F3N2O
Molecular Weight164.09 g/mol
Exact Mass164.02
IUPAC Name2-(trifluoromethoxy)pyrimidine
SMILESFC(F)(F)Oc1ncccn1
InChIInChI=1S/C5H3F3N2O/c6-5(7,8)11-4-9-2-1-3-10-4/h1-3H
InChIKeyFOZTVENDKSOBGF-UHFFFAOYSA-N
XLogP1.38
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.09
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxy)pyrimidine?
The IUPAC name of 2-(trifluoromethoxy)pyrimidine (CID 23221705) is 2-(trifluoromethoxy)pyrimidine.
What is the SMILES notation for 2-(trifluoromethoxy)pyrimidine?
The canonical SMILES for 2-(trifluoromethoxy)pyrimidine is FC(F)(F)Oc1ncccn1.
What is the InChIKey of 2-(trifluoromethoxy)pyrimidine?
The InChIKey is FOZTVENDKSOBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2O/c6-5(7,8)11-4-9-2-1-3-10-4/h1-3H.
What are the key properties of 2-(trifluoromethoxy)pyrimidine?
2-(trifluoromethoxy)pyrimidine has a molecular weight of 164.09 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxy)pyrimidine is sourced from PubChem (CID 23221705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).