2-chloro-4-ethenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine

C7H5ClF3N3O — CID 118650263

IUPAC2-chloro-4-ethenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
SMILESC=Cc1nc(Cl)nc(OCC(F)(F)F)n1
InChIInChI=1S/C7H5ClF3N3O/c1-2-4-12-5(8)14-6(13-4)15-3-7(9,10)11/h2H,1,3H2
InChIKeyRSJALBWQDYBHOA-UHFFFAOYSA-N
MW239.58 g/mol
LogP2.11
Rot. Bonds3

About 2-chloro-4-ethenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine

2-chloro-4-ethenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine (PubChem CID 118650263) has the molecular formula C7H5ClF3N3O and a molecular weight of 239.58 g/mol. Its IUPAC name is 2-chloro-4-ethenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-ethenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
PubChem CID118650263
Molecular FormulaC7H5ClF3N3O
Molecular Weight239.58 g/mol
Exact Mass239.01
IUPAC Name2-chloro-4-ethenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
SMILESC=Cc1nc(Cl)nc(OCC(F)(F)F)n1
InChIInChI=1S/C7H5ClF3N3O/c1-2-4-12-5(8)14-6(13-4)15-3-7(9,10)11/h2H,1,3H2
InChIKeyRSJALBWQDYBHOA-UHFFFAOYSA-N
XLogP2.11
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.58
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Chloro-4-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 20702269

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-ethenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine (CID 118650263) is 2-chloro-4-ethenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-ethenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-ethenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine is C=Cc1nc(Cl)nc(OCC(F)(F)F)n1.
What is the InChIKey of 2-chloro-4-ethenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The InChIKey is RSJALBWQDYBHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3N3O/c1-2-4-12-5(8)14-6(13-4)15-3-7(9,10)11/h2H,1,3H2.
What are the key properties of 2-chloro-4-ethenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine?
2-chloro-4-ethenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine has a molecular weight of 239.58 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine is sourced from PubChem (CID 118650263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).