2,4,6-tris(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine

C9H3F12N3 — CID 23247534

IUPAC2,4,6-tris(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine
SMILESFC(F)C(F)(F)c1nc(C(F)(F)C(F)F)nc(C(F)(F)C(F)F)n1
InChIInChI=1S/C9H3F12N3/c10-1(11)7(16,17)4-22-5(8(18,19)2(12)13)24-6(23-4)9(20,21)3(14)15/h1-3H
InChIKeyKFFRBYZTLSDCPZ-UHFFFAOYSA-N
MW381.12 g/mol
LogP3.94
Rot. Bonds6

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

2,4,6-tris(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine (PubChem CID 23247534) has the molecular formula C9H3F12N3 and a molecular weight of 381.12 g/mol. Its IUPAC name is 2,4,6-tris(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine
PubChem CID23247534
Molecular FormulaC9H3F12N3
Molecular Weight381.12 g/mol
Exact Mass381.01
IUPAC Name2,4,6-tris(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine
SMILESFC(F)C(F)(F)c1nc(C(F)(F)C(F)F)nc(C(F)(F)C(F)F)n1
InChIInChI=1S/C9H3F12N3/c10-1(11)7(16,17)4-22-5(8(18,19)2(12)13)24-6(23-4)9(20,21)3(14)15/h1-3H
InChIKeyKFFRBYZTLSDCPZ-UHFFFAOYSA-N
XLogP3.94
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.12
LogP ≤ 53.94
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 2,4,6-tris(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine (CID 23247534) is 2,4,6-tris(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine is FC(F)C(F)(F)c1nc(C(F)(F)C(F)F)nc(C(F)(F)C(F)F)n1.
What is the InChIKey of 2,4,6-tris(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine?
The InChIKey is KFFRBYZTLSDCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F12N3/c10-1(11)7(16,17)4-22-5(8(18,19)2(12)13)24-6(23-4)9(20,21)3(14)15/h1-3H.
What are the key properties of 2,4,6-tris(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine?
2,4,6-tris(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine has a molecular weight of 381.12 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(1,1,2,2-tetrafluoroethyl)-1,3,5-triazine is sourced from PubChem (CID 23247534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).