2-(1,2,2-trifluoroethoxy)pyrimidine

C6H5F3N2O — CID 67592886

IUPAC2-(1,2,2-trifluoroethoxy)pyrimidine
SMILESFC(F)C(F)Oc1ncccn1
InChIInChI=1S/C6H5F3N2O/c7-4(8)5(9)12-6-10-2-1-3-11-6/h1-5H
InChIKeyKFNVBVSFOFURGM-UHFFFAOYSA-N
MW178.11 g/mol
LogP1.42
Rot. Bonds3

About 2-(1,2,2-trifluoroethoxy)pyrimidine

2-(1,2,2-trifluoroethoxy)pyrimidine (PubChem CID 67592886) has the molecular formula C6H5F3N2O and a molecular weight of 178.11 g/mol. Its IUPAC name is 2-(1,2,2-trifluoroethoxy)pyrimidine.

Molecular Properties

Compound Name2-(1,2,2-trifluoroethoxy)pyrimidine
PubChem CID67592886
Molecular FormulaC6H5F3N2O
Molecular Weight178.11 g/mol
Exact Mass178.04
IUPAC Name2-(1,2,2-trifluoroethoxy)pyrimidine
SMILESFC(F)C(F)Oc1ncccn1
InChIInChI=1S/C6H5F3N2O/c7-4(8)5(9)12-6-10-2-1-3-11-6/h1-5H
InChIKeyKFNVBVSFOFURGM-UHFFFAOYSA-N
XLogP1.42
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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 2-(1,2,2-trifluoroethoxy)pyrimidine?
The IUPAC name of 2-(1,2,2-trifluoroethoxy)pyrimidine (CID 67592886) is 2-(1,2,2-trifluoroethoxy)pyrimidine.
What is the SMILES notation for 2-(1,2,2-trifluoroethoxy)pyrimidine?
The canonical SMILES for 2-(1,2,2-trifluoroethoxy)pyrimidine is FC(F)C(F)Oc1ncccn1.
What is the InChIKey of 2-(1,2,2-trifluoroethoxy)pyrimidine?
The InChIKey is KFNVBVSFOFURGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O/c7-4(8)5(9)12-6-10-2-1-3-11-6/h1-5H.
What are the key properties of 2-(1,2,2-trifluoroethoxy)pyrimidine?
2-(1,2,2-trifluoroethoxy)pyrimidine has a molecular weight of 178.11 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,2-trifluoroethoxy)pyrimidine is sourced from PubChem (CID 67592886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).