5-fluoro-4-(2,2,2-trifluoroethoxy)pyrimidine

C6H4F4N2O — CID 23198176

IUPAC5-fluoro-4-(2,2,2-trifluoroethoxy)pyrimidine
SMILESFc1cncnc1OCC(F)(F)F
InChIInChI=1S/C6H4F4N2O/c7-4-1-11-3-12-5(4)13-2-6(8,9)10/h1,3H,2H2
InChIKeyVRPQYDRQZLQHGU-UHFFFAOYSA-N
MW196.10 g/mol
LogP1.56
Rot. Bonds2

About 5-fluoro-4-(2,2,2-trifluoroethoxy)pyrimidine

5-fluoro-4-(2,2,2-trifluoroethoxy)pyrimidine (PubChem CID 23198176) has the molecular formula C6H4F4N2O and a molecular weight of 196.10 g/mol. Its IUPAC name is 5-fluoro-4-(2,2,2-trifluoroethoxy)pyrimidine.

Molecular Properties

Compound Name5-fluoro-4-(2,2,2-trifluoroethoxy)pyrimidine
PubChem CID23198176
Molecular FormulaC6H4F4N2O
Molecular Weight196.10 g/mol
Exact Mass196.03
IUPAC Name5-fluoro-4-(2,2,2-trifluoroethoxy)pyrimidine
SMILESFc1cncnc1OCC(F)(F)F
InChIInChI=1S/C6H4F4N2O/c7-4-1-11-3-12-5(4)13-2-6(8,9)10/h1,3H,2H2
InChIKeyVRPQYDRQZLQHGU-UHFFFAOYSA-N
XLogP1.56
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.10
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(2,2,2-trifluoroethoxy)pyrimidine?
The IUPAC name of 5-fluoro-4-(2,2,2-trifluoroethoxy)pyrimidine (CID 23198176) is 5-fluoro-4-(2,2,2-trifluoroethoxy)pyrimidine.
What is the SMILES notation for 5-fluoro-4-(2,2,2-trifluoroethoxy)pyrimidine?
The canonical SMILES for 5-fluoro-4-(2,2,2-trifluoroethoxy)pyrimidine is Fc1cncnc1OCC(F)(F)F.
What is the InChIKey of 5-fluoro-4-(2,2,2-trifluoroethoxy)pyrimidine?
The InChIKey is VRPQYDRQZLQHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F4N2O/c7-4-1-11-3-12-5(4)13-2-6(8,9)10/h1,3H,2H2.
What are the key properties of 5-fluoro-4-(2,2,2-trifluoroethoxy)pyrimidine?
5-fluoro-4-(2,2,2-trifluoroethoxy)pyrimidine has a molecular weight of 196.10 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(2,2,2-trifluoroethoxy)pyrimidine is sourced from PubChem (CID 23198176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).