2-fluoro-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine

C7F11N3 — CID 23233407

IUPAC2-fluoro-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine
SMILESFc1nc(C(F)(F)C(F)(F)F)nc(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C7F11N3/c8-3-20-1(4(9,10)6(13,14)15)19-2(21-3)5(11,12)7(16,17)18
InChIKeyXLBQEPZPQVKYPQ-UHFFFAOYSA-N
MW335.08 g/mol
LogP3.32
Rot. Bonds2

About 2-fluoro-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine

2-fluoro-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine (PubChem CID 23233407) has the molecular formula C7F11N3 and a molecular weight of 335.08 g/mol. Its IUPAC name is 2-fluoro-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-fluoro-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine
PubChem CID23233407
Molecular FormulaC7F11N3
Molecular Weight335.08 g/mol
Exact Mass334.99
IUPAC Name2-fluoro-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine
SMILESFc1nc(C(F)(F)C(F)(F)F)nc(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C7F11N3/c8-3-20-1(4(9,10)6(13,14)15)19-2(21-3)5(11,12)7(16,17)18
InChIKeyXLBQEPZPQVKYPQ-UHFFFAOYSA-N
XLogP3.32
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.08
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-fluoro-4,6-bis(1,1,2,2,2-pentafluoroethyl)-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-fluoro-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine?
The IUPAC name of 2-fluoro-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine (CID 23233407) is 2-fluoro-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine.
What is the SMILES notation for 2-fluoro-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine?
The canonical SMILES for 2-fluoro-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine is Fc1nc(C(F)(F)C(F)(F)F)nc(C(F)(F)C(F)(F)F)n1.
What is the InChIKey of 2-fluoro-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine?
The InChIKey is XLBQEPZPQVKYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F11N3/c8-3-20-1(4(9,10)6(13,14)15)19-2(21-3)5(11,12)7(16,17)18.
What are the key properties of 2-fluoro-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine?
2-fluoro-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine has a molecular weight of 335.08 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4,6-bis(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine is sourced from PubChem (CID 23233407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).