2-methoxy-4-(2,2,2-trifluoroethoxy)-1,3,5-triazine

C6H6F3N3O2 — CID 54318512

IUPAC2-methoxy-4-(2,2,2-trifluoroethoxy)-1,3,5-triazine
SMILESCOc1ncnc(OCC(F)(F)F)n1
InChIInChI=1S/C6H6F3N3O2/c1-13-4-10-3-11-5(12-4)14-2-6(7,8)9/h3H,2H2,1H3
InChIKeyATXFUMRGBLZKSO-UHFFFAOYSA-N
MW209.13 g/mol
LogP0.82
Rot. Bonds3

About 2-methoxy-4-(2,2,2-trifluoroethoxy)-1,3,5-triazine

2-methoxy-4-(2,2,2-trifluoroethoxy)-1,3,5-triazine (PubChem CID 54318512) has the molecular formula C6H6F3N3O2 and a molecular weight of 209.13 g/mol. Its IUPAC name is 2-methoxy-4-(2,2,2-trifluoroethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-methoxy-4-(2,2,2-trifluoroethoxy)-1,3,5-triazine
PubChem CID54318512
Molecular FormulaC6H6F3N3O2
Molecular Weight209.13 g/mol
Exact Mass209.04
IUPAC Name2-methoxy-4-(2,2,2-trifluoroethoxy)-1,3,5-triazine
SMILESCOc1ncnc(OCC(F)(F)F)n1
InChIInChI=1S/C6H6F3N3O2/c1-13-4-10-3-11-5(12-4)14-2-6(7,8)9/h3H,2H2,1H3
InChIKeyATXFUMRGBLZKSO-UHFFFAOYSA-N
XLogP0.82
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.13
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-Ethoxy-sym-triazine
CID 19751196
2,4-Diethoxy-1,3,5-triazine
CID 20062262
2-Methoxy-4-(trifluoromethoxy)-1,3,5-triazine
CID 19777656
N,N-dimethyl-4-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 53816129
2-Fluoro-4-(2-methoxyethoxy)-1,3,5-triazine
CID 53852074
2-(2,2,2-Trifluoroethoxy)-1,3,5-triazine
CID 54257945
2-Ethoxy-4-fluoro-1,3,5-triazine
CID 54342791
2,4-Bis(2-fluoro-2-methoxyethoxy)-1,3,5-triazine
CID 57158576
2,4-Bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
CID 87242029
2-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)-1,3,5-triazine
CID 87242130
2-(2,2,3-Trifluoropropoxy)-1,3,5-triazine
CID 118039304
2-(3-Fluoropropoxy)-1,3,5-triazine
CID 118039305

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The IUPAC name of 2-methoxy-4-(2,2,2-trifluoroethoxy)-1,3,5-triazine (CID 54318512) is 2-methoxy-4-(2,2,2-trifluoroethoxy)-1,3,5-triazine.
What is the SMILES notation for 2-methoxy-4-(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The canonical SMILES for 2-methoxy-4-(2,2,2-trifluoroethoxy)-1,3,5-triazine is COc1ncnc(OCC(F)(F)F)n1.
What is the InChIKey of 2-methoxy-4-(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The InChIKey is ATXFUMRGBLZKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O2/c1-13-4-10-3-11-5(12-4)14-2-6(7,8)9/h3H,2H2,1H3.
What are the key properties of 2-methoxy-4-(2,2,2-trifluoroethoxy)-1,3,5-triazine?
2-methoxy-4-(2,2,2-trifluoroethoxy)-1,3,5-triazine has a molecular weight of 209.13 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(2,2,2-trifluoroethoxy)-1,3,5-triazine is sourced from PubChem (CID 54318512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).