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

C6H5F3N2O — CID 67592882

IUPAC2-(1,1,2-trifluoroethoxy)pyrimidine
SMILESFCC(F)(F)Oc1ncccn1
InChIInChI=1S/C6H5F3N2O/c7-4-6(8,9)12-5-10-2-1-3-11-5/h1-3H,4H2
InChIKeyRFDMOJVYPMADRX-UHFFFAOYSA-N
MW178.11 g/mol
LogP1.42
Rot. Bonds3

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

2-(1,1,2-trifluoroethoxy)pyrimidine (PubChem CID 67592882) has the molecular formula C6H5F3N2O and a molecular weight of 178.11 g/mol. Its IUPAC name is 2-(1,1,2-trifluoroethoxy)pyrimidine.

Molecular Properties

Compound Name2-(1,1,2-trifluoroethoxy)pyrimidine
PubChem CID67592882
Molecular FormulaC6H5F3N2O
Molecular Weight178.11 g/mol
Exact Mass178.04
IUPAC Name2-(1,1,2-trifluoroethoxy)pyrimidine
SMILESFCC(F)(F)Oc1ncccn1
InChIInChI=1S/C6H5F3N2O/c7-4-6(8,9)12-5-10-2-1-3-11-5/h1-3H,4H2
InChIKeyRFDMOJVYPMADRX-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-(1,1,2-trifluoroethoxy)pyrimidine?
The IUPAC name of 2-(1,1,2-trifluoroethoxy)pyrimidine (CID 67592882) is 2-(1,1,2-trifluoroethoxy)pyrimidine.
What is the SMILES notation for 2-(1,1,2-trifluoroethoxy)pyrimidine?
The canonical SMILES for 2-(1,1,2-trifluoroethoxy)pyrimidine is FCC(F)(F)Oc1ncccn1.
What is the InChIKey of 2-(1,1,2-trifluoroethoxy)pyrimidine?
The InChIKey is RFDMOJVYPMADRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O/c7-4-6(8,9)12-5-10-2-1-3-11-5/h1-3H,4H2.
What are the key properties of 2-(1,1,2-trifluoroethoxy)pyrimidine?
2-(1,1,2-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-(1,1,2-trifluoroethoxy)pyrimidine is sourced from PubChem (CID 67592882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).