2-methoxy-4-methyl-6-(trifluoromethyl)-1,3,5-triazine

C6H6F3N3O — CID 20713448

IUPAC2-methoxy-4-methyl-6-(trifluoromethyl)-1,3,5-triazine
SMILESCOc1nc(C)nc(C(F)(F)F)n1
InChIInChI=1S/C6H6F3N3O/c1-3-10-4(6(7,8)9)12-5(11-3)13-2/h1-2H3
InChIKeyQTNHIRCFZQLQBB-UHFFFAOYSA-N
MW193.13 g/mol
LogP1.21
Rot. Bonds1

About 2-methoxy-4-methyl-6-(trifluoromethyl)-1,3,5-triazine

2-methoxy-4-methyl-6-(trifluoromethyl)-1,3,5-triazine (PubChem CID 20713448) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is 2-methoxy-4-methyl-6-(trifluoromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-methoxy-4-methyl-6-(trifluoromethyl)-1,3,5-triazine
PubChem CID20713448
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name2-methoxy-4-methyl-6-(trifluoromethyl)-1,3,5-triazine
SMILESCOc1nc(C)nc(C(F)(F)F)n1
InChIInChI=1S/C6H6F3N3O/c1-3-10-4(6(7,8)9)12-5(11-3)13-2/h1-2H3
InChIKeyQTNHIRCFZQLQBB-UHFFFAOYSA-N
XLogP1.21
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-6-(trifluoromethyl)-1,3,5-triazine?
The IUPAC name of 2-methoxy-4-methyl-6-(trifluoromethyl)-1,3,5-triazine (CID 20713448) is 2-methoxy-4-methyl-6-(trifluoromethyl)-1,3,5-triazine.
What is the SMILES notation for 2-methoxy-4-methyl-6-(trifluoromethyl)-1,3,5-triazine?
The canonical SMILES for 2-methoxy-4-methyl-6-(trifluoromethyl)-1,3,5-triazine is COc1nc(C)nc(C(F)(F)F)n1.
What is the InChIKey of 2-methoxy-4-methyl-6-(trifluoromethyl)-1,3,5-triazine?
The InChIKey is QTNHIRCFZQLQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c1-3-10-4(6(7,8)9)12-5(11-3)13-2/h1-2H3.
What are the key properties of 2-methoxy-4-methyl-6-(trifluoromethyl)-1,3,5-triazine?
2-methoxy-4-methyl-6-(trifluoromethyl)-1,3,5-triazine has a molecular weight of 193.13 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-6-(trifluoromethyl)-1,3,5-triazine is sourced from PubChem (CID 20713448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).