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

C6H5ClF3N3O — CID 20702269

IUPAC2-chloro-4-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
SMILESCc1nc(Cl)nc(OCC(F)(F)F)n1
InChIInChI=1S/C6H5ClF3N3O/c1-3-11-4(7)13-5(12-3)14-2-6(8,9)10/h2H2,1H3
InChIKeyXZIKKDUWCWUCLA-UHFFFAOYSA-N
MW227.57 g/mol
LogP1.77
Rot. Bonds2

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

2-chloro-4-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine (PubChem CID 20702269) has the molecular formula C6H5ClF3N3O and a molecular weight of 227.57 g/mol. Its IUPAC name is 2-chloro-4-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
PubChem CID20702269
Molecular FormulaC6H5ClF3N3O
Molecular Weight227.57 g/mol
Exact Mass227.01
IUPAC Name2-chloro-4-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
SMILESCc1nc(Cl)nc(OCC(F)(F)F)n1
InChIInChI=1S/C6H5ClF3N3O/c1-3-11-4(7)13-5(12-3)14-2-6(8,9)10/h2H2,1H3
InChIKeyXZIKKDUWCWUCLA-UHFFFAOYSA-N
XLogP1.77
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.57
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,5-Triazin-2-amine, 4-ethoxy-6-(trifluoromethyl)-
CID 199947
2-Chloro-4-methoxy-6-methyl-1,3,5-triazine
CID 19392079
1,3,5-Triazin-2-amine, 4-propoxy-6-(trifluoromethyl)-
CID 10900193
2-Amino-4-difluoromethyl-6-methoxy-1,3,5-triazine
CID 18472023
N,N,4-trimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 20652999
2-Methoxy-4-methyl-6-(trifluoromethyl)-1,3,5-triazine
CID 20713448
4-(2,2-difluoroethoxy)-N,N,6-trimethyl-1,3,5-triazin-2-amine
CID 20713449
2-Ethoxy-4-(trifluoromethyl)-1,3,5-triazine
CID 70367298
2-Chloro-4-ethenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 118650263
2-Chloro-1,4-dimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-1-ium
CID 123624110
4-Methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 141834652
2-Methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 143789986

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine (CID 20702269) is 2-chloro-4-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine is Cc1nc(Cl)nc(OCC(F)(F)F)n1.
What is the InChIKey of 2-chloro-4-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The InChIKey is XZIKKDUWCWUCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF3N3O/c1-3-11-4(7)13-5(12-3)14-2-6(8,9)10/h2H2,1H3.
What are the key properties of 2-chloro-4-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine?
2-chloro-4-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine has a molecular weight of 227.57 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine is sourced from PubChem (CID 20702269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).