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

C7H6F3N3 — CID 54459890

IUPAC2-ethenyl-4-methyl-6-(trifluoromethyl)-1,3,5-triazine
SMILESC=Cc1nc(C)nc(C(F)(F)F)n1
InChIInChI=1S/C7H6F3N3/c1-3-5-11-4(2)12-6(13-5)7(8,9)10/h3H,1H2,2H3
InChIKeyXAWRVOHYMCVHMP-UHFFFAOYSA-N
MW189.14 g/mol
LogP1.84
Rot. Bonds1

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

2-ethenyl-4-methyl-6-(trifluoromethyl)-1,3,5-triazine (PubChem CID 54459890) has the molecular formula C7H6F3N3 and a molecular weight of 189.14 g/mol. Its IUPAC name is 2-ethenyl-4-methyl-6-(trifluoromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-ethenyl-4-methyl-6-(trifluoromethyl)-1,3,5-triazine
PubChem CID54459890
Molecular FormulaC7H6F3N3
Molecular Weight189.14 g/mol
Exact Mass189.05
IUPAC Name2-ethenyl-4-methyl-6-(trifluoromethyl)-1,3,5-triazine
SMILESC=Cc1nc(C)nc(C(F)(F)F)n1
InChIInChI=1S/C7H6F3N3/c1-3-5-11-4(2)12-6(13-5)7(8,9)10/h3H,1H2,2H3
InChIKeyXAWRVOHYMCVHMP-UHFFFAOYSA-N
XLogP1.84
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.14
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-methyl-6-(trifluoromethyl)-1,3,5-triazine?
The IUPAC name of 2-ethenyl-4-methyl-6-(trifluoromethyl)-1,3,5-triazine (CID 54459890) is 2-ethenyl-4-methyl-6-(trifluoromethyl)-1,3,5-triazine.
What is the SMILES notation for 2-ethenyl-4-methyl-6-(trifluoromethyl)-1,3,5-triazine?
The canonical SMILES for 2-ethenyl-4-methyl-6-(trifluoromethyl)-1,3,5-triazine is C=Cc1nc(C)nc(C(F)(F)F)n1.
What is the InChIKey of 2-ethenyl-4-methyl-6-(trifluoromethyl)-1,3,5-triazine?
The InChIKey is XAWRVOHYMCVHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3/c1-3-5-11-4(2)12-6(13-5)7(8,9)10/h3H,1H2,2H3.
What are the key properties of 2-ethenyl-4-methyl-6-(trifluoromethyl)-1,3,5-triazine?
2-ethenyl-4-methyl-6-(trifluoromethyl)-1,3,5-triazine has a molecular weight of 189.14 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-methyl-6-(trifluoromethyl)-1,3,5-triazine is sourced from PubChem (CID 54459890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).