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

C6H6F3N3O — CID 151285751

IUPAC2-methyl-4-(2,2,2-trifluoroethoxy)-1,3,5-triazine
SMILESCc1ncnc(OCC(F)(F)F)n1
InChIInChI=1S/C6H6F3N3O/c1-4-10-3-11-5(12-4)13-2-6(7,8)9/h3H,2H2,1H3
InChIKeyNZIPJWLBPMEFMQ-UHFFFAOYSA-N
MW193.13 g/mol
LogP1.12
Rot. Bonds2

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

2-methyl-4-(2,2,2-trifluoroethoxy)-1,3,5-triazine (PubChem CID 151285751) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is 2-methyl-4-(2,2,2-trifluoroethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-methyl-4-(2,2,2-trifluoroethoxy)-1,3,5-triazine
PubChem CID151285751
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name2-methyl-4-(2,2,2-trifluoroethoxy)-1,3,5-triazine
SMILESCc1ncnc(OCC(F)(F)F)n1
InChIInChI=1S/C6H6F3N3O/c1-4-10-3-11-5(12-4)13-2-6(7,8)9/h3H,2H2,1H3
InChIKeyNZIPJWLBPMEFMQ-UHFFFAOYSA-N
XLogP1.12
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The IUPAC name of 2-methyl-4-(2,2,2-trifluoroethoxy)-1,3,5-triazine (CID 151285751) is 2-methyl-4-(2,2,2-trifluoroethoxy)-1,3,5-triazine.
What is the SMILES notation for 2-methyl-4-(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The canonical SMILES for 2-methyl-4-(2,2,2-trifluoroethoxy)-1,3,5-triazine is Cc1ncnc(OCC(F)(F)F)n1.
What is the InChIKey of 2-methyl-4-(2,2,2-trifluoroethoxy)-1,3,5-triazine?
The InChIKey is NZIPJWLBPMEFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c1-4-10-3-11-5(12-4)13-2-6(7,8)9/h3H,2H2,1H3.
What are the key properties of 2-methyl-4-(2,2,2-trifluoroethoxy)-1,3,5-triazine?
2-methyl-4-(2,2,2-trifluoroethoxy)-1,3,5-triazine has a molecular weight of 193.13 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2,2,2-trifluoroethoxy)-1,3,5-triazine is sourced from PubChem (CID 151285751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).