2-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine

C9H6F9N3 — CID 139685064

IUPAC2-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCc1ncncn1
InChIInChI=1S/C9H6F9N3/c10-6(11,2-1-5-20-3-19-4-21-5)7(12,13)8(14,15)9(16,17)18/h3-4H,1-2H2
InChIKeyUYZFSBANZXKRNW-UHFFFAOYSA-N
MW327.15 g/mol
LogP3.27
Rot. Bonds5

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

2-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine (PubChem CID 139685064) has the molecular formula C9H6F9N3 and a molecular weight of 327.15 g/mol. Its IUPAC name is 2-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine
PubChem CID139685064
Molecular FormulaC9H6F9N3
Molecular Weight327.15 g/mol
Exact Mass327.04
IUPAC Name2-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCc1ncncn1
InChIInChI=1S/C9H6F9N3/c10-6(11,2-1-5-20-3-19-4-21-5)7(12,13)8(14,15)9(16,17)18/h3-4H,1-2H2
InChIKeyUYZFSBANZXKRNW-UHFFFAOYSA-N
XLogP3.27
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.15
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine?
The IUPAC name of 2-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine (CID 139685064) is 2-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine.
What is the SMILES notation for 2-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine?
The canonical SMILES for 2-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCc1ncncn1.
What is the InChIKey of 2-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine?
The InChIKey is UYZFSBANZXKRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F9N3/c10-6(11,2-1-5-20-3-19-4-21-5)7(12,13)8(14,15)9(16,17)18/h3-4H,1-2H2.
What are the key properties of 2-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine?
2-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine has a molecular weight of 327.15 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,3,5-triazine is sourced from PubChem (CID 139685064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).