2,4-difluoro-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazine

C6H2F7N3O — CID 171774631

IUPAC2,4-difluoro-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazine
SMILESFc1nc(F)nc(OCC(F)(F)C(F)(F)F)n1
InChIInChI=1S/C6H2F7N3O/c7-2-14-3(8)16-4(15-2)17-1-5(9,10)6(11,12)13/h1H2
InChIKeyQWLWXMYZYNCNAA-UHFFFAOYSA-N
MW265.09 g/mol
LogP1.73
Rot. Bonds3

About 2,4-difluoro-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazine

2,4-difluoro-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazine (PubChem CID 171774631) has the molecular formula C6H2F7N3O and a molecular weight of 265.09 g/mol. Its IUPAC name is 2,4-difluoro-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-difluoro-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazine
PubChem CID171774631
Molecular FormulaC6H2F7N3O
Molecular Weight265.09 g/mol
Exact Mass265.01
IUPAC Name2,4-difluoro-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazine
SMILESFc1nc(F)nc(OCC(F)(F)C(F)(F)F)n1
InChIInChI=1S/C6H2F7N3O/c7-2-14-3(8)16-4(15-2)17-1-5(9,10)6(11,12)13/h1H2
InChIKeyQWLWXMYZYNCNAA-UHFFFAOYSA-N
XLogP1.73
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.09
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazine?
The IUPAC name of 2,4-difluoro-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazine (CID 171774631) is 2,4-difluoro-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4-difluoro-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazine?
The canonical SMILES for 2,4-difluoro-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazine is Fc1nc(F)nc(OCC(F)(F)C(F)(F)F)n1.
What is the InChIKey of 2,4-difluoro-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazine?
The InChIKey is QWLWXMYZYNCNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F7N3O/c7-2-14-3(8)16-4(15-2)17-1-5(9,10)6(11,12)13/h1H2.
What are the key properties of 2,4-difluoro-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazine?
2,4-difluoro-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazine has a molecular weight of 265.09 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazine is sourced from PubChem (CID 171774631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).