4-chloro-6-(2,2,2-trifluoroethoxy)pyrimidine

C6H4ClF3N2O — CID 21478866

IUPAC4-chloro-6-(2,2,2-trifluoroethoxy)pyrimidine
SMILESFC(F)(F)COc1cc(Cl)ncn1
InChIInChI=1S/C6H4ClF3N2O/c7-4-1-5(12-3-11-4)13-2-6(8,9)10/h1,3H,2H2
InChIKeyCJTDPEZNGURNJL-UHFFFAOYSA-N
MW212.56 g/mol
LogP2.07
Rot. Bonds2

About 4-chloro-6-(2,2,2-trifluoroethoxy)pyrimidine

4-chloro-6-(2,2,2-trifluoroethoxy)pyrimidine (PubChem CID 21478866) has the molecular formula C6H4ClF3N2O and a molecular weight of 212.56 g/mol. Its IUPAC name is 4-chloro-6-(2,2,2-trifluoroethoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,2,2-trifluoroethoxy)pyrimidine
PubChem CID21478866
Molecular FormulaC6H4ClF3N2O
Molecular Weight212.56 g/mol
Exact Mass212.00
IUPAC Name4-chloro-6-(2,2,2-trifluoroethoxy)pyrimidine
SMILESFC(F)(F)COc1cc(Cl)ncn1
InChIInChI=1S/C6H4ClF3N2O/c7-4-1-5(12-3-11-4)13-2-6(8,9)10/h1,3H,2H2
InChIKeyCJTDPEZNGURNJL-UHFFFAOYSA-N
XLogP2.07
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.56
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,2,2-trifluoroethoxy)pyrimidine?
The IUPAC name of 4-chloro-6-(2,2,2-trifluoroethoxy)pyrimidine (CID 21478866) is 4-chloro-6-(2,2,2-trifluoroethoxy)pyrimidine.
What is the SMILES notation for 4-chloro-6-(2,2,2-trifluoroethoxy)pyrimidine?
The canonical SMILES for 4-chloro-6-(2,2,2-trifluoroethoxy)pyrimidine is FC(F)(F)COc1cc(Cl)ncn1.
What is the InChIKey of 4-chloro-6-(2,2,2-trifluoroethoxy)pyrimidine?
The InChIKey is CJTDPEZNGURNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3N2O/c7-4-1-5(12-3-11-4)13-2-6(8,9)10/h1,3H,2H2.
What are the key properties of 4-chloro-6-(2,2,2-trifluoroethoxy)pyrimidine?
4-chloro-6-(2,2,2-trifluoroethoxy)pyrimidine has a molecular weight of 212.56 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,2,2-trifluoroethoxy)pyrimidine is sourced from PubChem (CID 21478866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).