2-methyl-4,6-bis(trifluoromethoxy)-1,3,5-triazine

C6H3F6N3O2 — CID 177164302

IUPAC2-methyl-4,6-bis(trifluoromethoxy)-1,3,5-triazine
SMILESCc1nc(OC(F)(F)F)nc(OC(F)(F)F)n1
InChIInChI=1S/C6H3F6N3O2/c1-2-13-3(16-5(7,8)9)15-4(14-2)17-6(10,11)12/h1H3
InChIKeyGTGBXFVXCXFVOL-UHFFFAOYSA-N
MW263.10 g/mol
LogP1.98
Rot. Bonds2

About 2-methyl-4,6-bis(trifluoromethoxy)-1,3,5-triazine

2-methyl-4,6-bis(trifluoromethoxy)-1,3,5-triazine (PubChem CID 177164302) has the molecular formula C6H3F6N3O2 and a molecular weight of 263.10 g/mol. Its IUPAC name is 2-methyl-4,6-bis(trifluoromethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-methyl-4,6-bis(trifluoromethoxy)-1,3,5-triazine
PubChem CID177164302
Molecular FormulaC6H3F6N3O2
Molecular Weight263.10 g/mol
Exact Mass263.01
IUPAC Name2-methyl-4,6-bis(trifluoromethoxy)-1,3,5-triazine
SMILESCc1nc(OC(F)(F)F)nc(OC(F)(F)F)n1
InChIInChI=1S/C6H3F6N3O2/c1-2-13-3(16-5(7,8)9)15-4(14-2)17-6(10,11)12/h1H3
InChIKeyGTGBXFVXCXFVOL-UHFFFAOYSA-N
XLogP1.98
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.10
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,6-bis(trifluoromethoxy)-1,3,5-triazine?
The IUPAC name of 2-methyl-4,6-bis(trifluoromethoxy)-1,3,5-triazine (CID 177164302) is 2-methyl-4,6-bis(trifluoromethoxy)-1,3,5-triazine.
What is the SMILES notation for 2-methyl-4,6-bis(trifluoromethoxy)-1,3,5-triazine?
The canonical SMILES for 2-methyl-4,6-bis(trifluoromethoxy)-1,3,5-triazine is Cc1nc(OC(F)(F)F)nc(OC(F)(F)F)n1.
What is the InChIKey of 2-methyl-4,6-bis(trifluoromethoxy)-1,3,5-triazine?
The InChIKey is GTGBXFVXCXFVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F6N3O2/c1-2-13-3(16-5(7,8)9)15-4(14-2)17-6(10,11)12/h1H3.
What are the key properties of 2-methyl-4,6-bis(trifluoromethoxy)-1,3,5-triazine?
2-methyl-4,6-bis(trifluoromethoxy)-1,3,5-triazine has a molecular weight of 263.10 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,6-bis(trifluoromethoxy)-1,3,5-triazine is sourced from PubChem (CID 177164302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).