2-(1,1,3,3,3-pentafluoropropoxy)-1,3,5-triazine

C6H4F5N3O — CID 175948118

IUPAC2-(1,1,3,3,3-pentafluoropropoxy)-1,3,5-triazine
SMILESFC(F)(F)CC(F)(F)Oc1ncncn1
InChIInChI=1S/C6H4F5N3O/c7-5(8,9)1-6(10,11)15-4-13-2-12-3-14-4/h2-3H,1H2
InChIKeyGEENJXHJXOUEQY-UHFFFAOYSA-N
MW229.11 g/mol
LogP1.80
Rot. Bonds3

About 2-(1,1,3,3,3-pentafluoropropoxy)-1,3,5-triazine

2-(1,1,3,3,3-pentafluoropropoxy)-1,3,5-triazine (PubChem CID 175948118) has the molecular formula C6H4F5N3O and a molecular weight of 229.11 g/mol. Its IUPAC name is 2-(1,1,3,3,3-pentafluoropropoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-(1,1,3,3,3-pentafluoropropoxy)-1,3,5-triazine
PubChem CID175948118
Molecular FormulaC6H4F5N3O
Molecular Weight229.11 g/mol
Exact Mass229.03
IUPAC Name2-(1,1,3,3,3-pentafluoropropoxy)-1,3,5-triazine
SMILESFC(F)(F)CC(F)(F)Oc1ncncn1
InChIInChI=1S/C6H4F5N3O/c7-5(8,9)1-6(10,11)15-4-13-2-12-3-14-4/h2-3H,1H2
InChIKeyGEENJXHJXOUEQY-UHFFFAOYSA-N
XLogP1.80
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.11
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1,1,3,3,3-pentafluoropropoxy)-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,3,3,3-pentafluoropropoxy)-1,3,5-triazine?
The IUPAC name of 2-(1,1,3,3,3-pentafluoropropoxy)-1,3,5-triazine (CID 175948118) is 2-(1,1,3,3,3-pentafluoropropoxy)-1,3,5-triazine.
What is the SMILES notation for 2-(1,1,3,3,3-pentafluoropropoxy)-1,3,5-triazine?
The canonical SMILES for 2-(1,1,3,3,3-pentafluoropropoxy)-1,3,5-triazine is FC(F)(F)CC(F)(F)Oc1ncncn1.
What is the InChIKey of 2-(1,1,3,3,3-pentafluoropropoxy)-1,3,5-triazine?
The InChIKey is GEENJXHJXOUEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F5N3O/c7-5(8,9)1-6(10,11)15-4-13-2-12-3-14-4/h2-3H,1H2.
What are the key properties of 2-(1,1,3,3,3-pentafluoropropoxy)-1,3,5-triazine?
2-(1,1,3,3,3-pentafluoropropoxy)-1,3,5-triazine has a molecular weight of 229.11 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,3,3,3-pentafluoropropoxy)-1,3,5-triazine is sourced from PubChem (CID 175948118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).